The total number to display on this page is 100 218 matching records for this search.
the file_query is Select fileno, contents, cifcontents, journalKey, Mineral from Amc_Table where fileno in ('11347.amc', '12004.amc', '14263.amc', '14264.amc', '14265.amc', '14266.amc', '14267.amc', '14268.amc', '14298.amc', '14315.amc', '14316.amc', '14317.amc', '14326.amc', '14327.amc', '14328.amc', '14329.amc', '14330.amc', '14332.amc', '14333.amc', '14335.amc', '14336.amc', '14337.amc', '14465.amc', '14466.amc', '14467.amc', '14468.amc', '14469.amc', '14470.amc', '14473.amc', '14479.amc', '14480.amc', '14481.amc', '14482.amc', '14483.amc', '14654.amc', '14660.amc', '14661.amc', '14662.amc', '14663.amc', '14666.amc', '14667.amc', '14668.amc', '14802.amc', '14817.amc', '14823.amc', '14826.amc', '14827.amc', '14828.amc', '14829.amc', '14836.amc', '14837.amc', '14839.amc', '14851.amc', '14852.amc', '14877.amc', '15237.amc', '15244.amc', '15245.amc', '15271.amc', '15303.amc', '15306.amc', '15307.amc', '15308.amc', '15309.amc', '15310.amc', '16198.amc', '16199.amc', '16200.amc', '16201.amc', '16202.amc', '16203.amc', '16204.amc', '16205.amc', '16206.amc', '16207.amc', '16208.amc', '16209.amc', '16210.amc', '16211.amc', '16212.amc', '16213.amc', '16214.amc', '16215.amc', '16216.amc', '16217.amc', '16218.amc', '16219.amc', '16221.amc', '16274.amc', '16275.amc', '16276.amc', '16449.amc', '16507.amc', '16508.amc', '16509.amc', '16510.amc', '16511.amc', '16673.amc', '16686.amc', '16763.amc') order by fileno
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In6WO12 |
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Michel D, Kahn A |
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Acta Crystallographica B38 (1982) 1437-1441 |
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The Structure of Indium Tungstate In6WO12: Its Relation with the |
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Fluorite Structure |
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_cod_database_code 1001180 |
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_database_code_amcsd 0009761 |
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6.2277 6.2277 6.2277 99.01 99.01 99.01 R-3 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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W1 0 0 0 .0034 .0034 .0034 .0008 .0008 .0008 |
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In1 .1397 .3214 .6044 .0043 .0071 .0056 .0024 .0008 .0002 |
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O1 -.0426 .0974 .2969 .0129 .0104 .0015 .0007 .0007 .0007 |
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O2 .4057 .5838 .8219 .0079 .0044 .0034 .0009 .0009 .0004 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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O4 Sr Tl2 |
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Michel C, Hervieu M, Caignaert V, Raveau B |
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Acta Crystallographica C48 (1992) 1747-1749 |
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Structure Refinement of the semi-Metallic Oxide SrTl2O4: a Neutron |
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Diffraction Study |
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_cod_database_code 1001537 |
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_database_code_amcsd 0010276 |
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10.0451 11.6905 3.40860 90 90 90 Pnam |
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atom x y z |
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Tl1 .4225 .6090 .25 |
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Tl2 .4212 .1093 .25 |
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Sr1 .7534 .6504 .25 |
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O1 .2110 .1772 .25 |
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O2 .1256 .4777 .25 |
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O3 .5188 .7790 .25 |
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O4 .4136 .4254 .25 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Ba2 Cu3 O6.04 Y |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001431 |
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_database_code_amcsd 0011983 |
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3.8519 3.8519 11.8037 90 90 90 P4/mmm |
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atom x y z occ |
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Ba1 .5 .5 .1952 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3605 |
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O1 0 0 .1518 |
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O2 0 .5 .3794 |
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O3 0 .5 0 .02 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Ba2 Cu3 O7.34 Y |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
|   |
American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001432 |
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_database_code_amcsd 0011984 |
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3.8657 3.8657 11.6015 90 90 90 P4/mmm |
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atom x y z occ |
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Ba1 .5 .5 .1886 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3559 |
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O1 0 0 .1567 |
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O2 0 .5 .3759 |
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O3 0 .5 0 .63 |
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O4 0 0 .5 .08 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Ba1.5 Cu3 La1.5 O7.36 |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001433 |
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_database_code_amcsd 0011985 |
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3.9024 3.9024 11.6908 90 90 90 P4/mmm |
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atom x y z occ |
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Ba1 .5 .5 .1814 .75 |
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La1 .5 .5 .1814 .25 |
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La2 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3465 |
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O1 0 0 .1562 |
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O2 0 .5 .3657 |
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O3 0 .5 0 .64 |
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O4 0 0 .5 .08 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Ba2 Cu3 Nd O6.85 |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001434 |
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_database_code_amcsd 0011986 |
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3.8687 9.9150 11.7477 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1846 |
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Nd1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3505 |
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O1 0 0 .1559 |
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O2 0 .5 .3721 |
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O3 .5 0 .3715 |
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O4 0 .5 0 .71 |
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O5 .5 0 0 .14 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Ba2 Cu3 O6.92 Y |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001435 |
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_database_code_amcsd 0011987 |
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3.8179 3.8801 11.6655 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1847 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3556 |
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O1 0 0 .1586 |
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O2 0 .5 .3784 |
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O3 .5 0 .3782 |
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O4 0 .5 0 .87 |
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O5 .5 0 0 .05 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
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Ba2 Cu3 Er O6.99 |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
|   |
American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001436 |
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_database_code_amcsd 0011988 |
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3.8123 3.8756 11.6576 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1838 |
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Er1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3563 |
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O1 0 0 .1596 |
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O2 0 .5 .3790 |
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O3 .5 0 .3791 |
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O4 0 .5 0 .89 |
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O5 .5 0 0 .10 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
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S48 |
| |
Michel R, Kappes M, Adelmann P, Roth G |
|   |
Angewandte Chemie 106 (1994) 1742-1746 |
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Preparation and Crystal Structure of C76(S8)6: A First Step towards the |
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Crystallography of Higher Fullerenes |
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_cod_database_code 1001668 |
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_database_code_amcsd 0011993 |
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10.410 20.500 19.480 90 98.8 90 Cm |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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S1 .75780 .88903 .39632 .0308 .0780 .0395 -.0070 .0071 -.0108 |
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S2 .76072 .79082 .41529 .0254 .0807 .0370 -.0019 .0030 .0021 |
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S3 .5724 .75865 .40458 .0293 .0845 .0369 -.0061 .0109 .0000 |
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S4 .5342 .71481 .30941 .0396 .0805 .0427 -.0086 .0018 -.0040 |
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S5 .4240 .77831 .24402 .0320 .1010 .0502 -.0094 -.0060 .0012 |
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S6 .5478 .82777 .19004 .0461 .0910 .0349 -.0037 .0025 -.0018 |
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S7 .5894 .91431 .24056 .0391 .0800 .0483 .0023 .0060 .0036 |
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S8 .7734 .9045 .29441 .0298 .0879 .0432 -.0100 .0093 .0015 |
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S9 .0218 .5 .41960 .0255 .071 .0548 0 .0154 0 |
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S10 .94112 .41955 .45780 .0264 .0828 .0544 .0051 .0096 .0194 |
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S11 .79318 .38835 .38403 .0326 .0605 .0599 .0025 .0177 -.0020 |
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S12 .62409 .41919 .41643 .0277 .0664 .0493 .0025 .0128 .0114 |
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S13 .5619 .5 .35995 .0297 .0640 .0295 0 -.0022 0 |
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S14 .9197 0 .52212 .0398 .077 .0441 0 .0200 0 |
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S15 .9215 -.08089 .58369 .0279 .0850 .0558 .0104 .0066 .0140 |
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S16 .73375 -.11450 .57601 .0321 .0714 .0374 .0075 .0089 .0077 |
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S17 .6574 -.08057 .65985 .0433 .0828 .0320 .0081 .0121 .0147 |
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S18 .5480 0 .62907 .0280 .0693 .0430 0 .0135 0 |
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S19 .7283 .40639 .70364 .0332 .0911 .0487 .0119 .0145 .0106 |
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S20 .7728 .40414 .60485 .0352 .0922 .0403 .0054 .0027 .0194 |
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S21 .7622 .30922 .57174 .0366 .0984 .0399 -.0066 .0000 .0013 |
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S22 .9455 .27028 .58826 .0437 .0898 .0382 -.0007 .0091 -.0043 |
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S23 .9640 .21964 .67978 .0660 .0588 .0507 -.0038 .0026 -.0034 |
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S24 .0673 .27541 .75588 .0421 .0573 .0420 .0025 -.0049 .0095 |
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S25 .9341 .31792 .80979 .0545 .0658 .0312 -.0064 .0079 .0104 |
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S26 .8988 .41000 .77111 .0443 .0602 .0360 .0056 .0097 .0013 |
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C1 -.0028 .0029 .0023 .01 |
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C2 -.2208 -.0469 .1093 .276 |
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C3 -.1575 .0110 .1469 .276 |
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C4 .1737 .0602 -.1222 .276 |
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C5 .1916 -.0119 -.1262 .276 |
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C6 -.3174 -.0390 .0522 .276 |
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C7 -.0363 -.0006 .1858 .551 |
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C8 .0567 .0852 -.1563 .276 |
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C9 .2842 -.0403 -.0759 .276 |
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C10 -.345 -.0809 -.0071 .276 |
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C11 .0517 .0534 .1988 .276 |
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C12 .0035 .1445 -.1332 .276 |
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C13 .2767 -.1059 -.0511 .276 |
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C14 -.2820 -.1401 -.0043 .276 |
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C15 .0145 .1156 .1776 .276 |
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C16 .0708 .1811 -.0805 .276 |
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C17 .1818 -.1455 -.0858 .276 |
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C18 -.1897 -.1546 .0574 .276 |
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C19 -.1104 .1307 .1380 .276 |
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C20 .1959 .1584 -.0463 .276 |
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C21 .0847 -.1216 -.1409 .276 |
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C22 -.1497 -.1092 .1114 .276 |
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C23 -.1953 .0771 .1208 .276 |
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C24 .246 .0970 -.0635 .276 |
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C25 .0868 -.0548 -.1596 .276 |
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C26 -.0135 -.1098 .1489 .276 |
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C27 -.2909 .0819 .0558 .276 |
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C28 .3301 .0614 -.0066 .276 |
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C29 -.0355 -.0188 -.1874 .276 |
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C30 .0459 -.0547 .1837 .276 |
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C31 -.3450 .0238 .0258 .276 |
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C32 .3436 -.0058 -.0174 .276 |
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C33 -.0551 .0494 -.1828 .276 |
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C34 .1805 -.0367 .1866 .276 |
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C35 -.3776 .0162 -.0482 .276 |
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C36 .360 -.0490 .0408 .276 |
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C37 -.1752 .0787 -.1701 .276 |
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C38 .2647 -.0656 .1450 .276 |
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C39 -.3374 .0642 -.0918 .276 |
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C40 .3432 -.0234 .1060 .276 |
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C41 -.2779 .0410 -.1511 .276 |
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C42 .2050 -.1270 .1232 .276 |
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C43 -.296 .1252 -.0609 .276 |
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C44 .3354 .0448 .1194 .276 |
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C45 -.2592 -.0258 -.1677 .276 |
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C46 .2471 -.1513 .0615 .276 |
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C47 -.2030 .1634 -.0899 .276 |
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C48 .2602 .0733 .1671 .276 |
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C49 -.319 -.0731 -.1285 .276 |
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C50 .0757 -.1519 .1253 .276 |
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C51 -.2799 .1351 .0129 .276 |
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C52 .3435 .0860 .0606 .276 |
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C53 -.1471 -.0569 -.1883 .276 |
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C54 .1469 -.1938 .0251 .276 |
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C55 -.1293 .2021 -.0349 .276 |
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C56 .2254 .1383 .1407 .276 |
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C57 -.2479 -.1344 -.1248 .276 |
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C58 .0431 -.1935 .0659 .276 |
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C59 -.1808 .1842 .0267 .276 |
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C60 .2794 .1444 .0776 .276 |
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C61 -.1430 -.1233 -.1634 .276 |
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C62 -.0864 -.1959 .0397 .276 |
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C63 -.1004 .1827 .0890 .276 |
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C64 .2092 .1797 .0252 .276 |
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C65 -.0337 -.1574 -.1357 .276 |
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C66 .1197 -.1922 -.0460 .276 |
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C67 .0019 .2122 -.0304 .276 |
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C68 .1047 .1589 .1508 .276 |
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C69 -.2348 -.1682 -.0636 .276 |
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C70 -.1173 -.2015 -.0348 .276 |
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C71 .0365 .1979 .0961 .276 |
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C72 .0880 .2102 .0344 .276 |
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C73 -.0156 -.1982 -.0746 .276 |
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C74 .3155 -.1128 .0221 .276 |
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C75 -.1353 .1401 -.1402 .276 |
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C76 .1820 .0317 .1973 .276 |
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C77 -.3719 -.0488 -.0728 .276 |
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C78 -.0018 -.0047 .0012 .01 |
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C79 -.2747 -.0345 .0780 .224 |
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C80 -.2658 .0384 .0796 .224 |
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C81 .2467 .0153 -.0964 .224 |
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C82 .2926 -.0421 -.0523 .224 |
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C83 -.3277 -.0628 .0149 .224 |
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C84 -.1782 .0666 .1321 .224 |
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C85 .1511 .0107 -.1548 .224 |
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C86 .3504 -.0246 .0142 .224 |
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C87 -.2926 -.1283 -.0004 .224 |
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C88 -.1191 .1288 .1233 .224 |
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C89 .0478 .0532 -.1847 .224 |
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C90 .3467 -.0725 .0676 .224 |
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C91 -.2111 -.1643 .0472 .224 |
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C92 -.1536 .1664 .0654 .224 |
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C93 .0637 .1155 -.1585 .224 |
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C94 .2984 -.1344 .0543 .224 |
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C95 -.1566 -.1380 .1138 .224 |
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C96 -.2525 .1412 .0121 .224 |
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C97 .1659 .1315 -.1021 .224 |
|
C98 .2427 -.1521 -.0156 .224 |
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C99 -.1834 -.0720 .1286 .224 |
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C100 -.3043 .0774 .0161 .224 |
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C101 .2514 .0825 -.0690 .224 |
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C102 .2300 -.1058 -.0705 .224 |
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C103 -.0773 -.0394 .1768 .224 |
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C104 -.3486 .0362 -.0464 .224 |
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C105 .3018 .0899 .0067 .224 |
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C106 .1215 -.1072 -.1303 .224 |
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C107 -.0854 .0291 .1746 .224 |
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C108 -.3526 -.0328 -.0508 .224 |
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C109 .3464 .0356 .0486 .224 |
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C110 .0885 -.0498 -.1685 .224 |
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C111 .0269 .0711 .1859 .224 |
|
C112 -.3188 -.0766 -.1032 .224 |
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C113 .3258 .0294 .1198 .224 |
|
C114 -.0469 -.0439 -.1958 .224 |
|
C115 .1511 .0428 .1893 .224 |
|
C116 -.2602 -.0499 -.1575 .224 |
|
C117 .2439 .0731 .1489 .224 |
|
C118 -.1445 -.0838 -.1753 .224 |
|
C119 .1590 -.0261 .1988 .224 |
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C120 -.2798 .0190 -.1610 .224 |
|
C121 .2203 .1306 .1073 .224 |
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C122 -.1043 -.1430 -.1401 .224 |
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C123 .2537 -.0661 .1737 .224 |
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C124 -.1867 .0551 -.1921 .224 |
|
C125 .1018 .1630 .1153 .224 |
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C126 -.1769 -.1714 -.0912 .224 |
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C127 .0454 -.0662 .1972 .224 |
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C128 -.3282 .0604 -.1109 .224 |
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C129 .2501 .1425 .0390 .224 |
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C130 .0326 -.1568 -.1229 .224 |
|
C131 .2019 -.1312 .1588 .224 |
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C132 -.1805 .1212 -.1639 .224 |
|
C133 .0556 .1993 .0524 .224 |
|
C134 -.0870 -.2083 -.0415 .224 |
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C135 .0714 -.1307 .1740 .224 |
|
C136 -.2694 .1237 -.1143 .224 |
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C137 .1499 .1862 .0077 .224 |
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C138 .0366 -.1994 -.0641 .224 |
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C139 -.0281 -.1649 .1359 .224 |
|
C140 -.2343 .1623 -.0569 .224 |
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C141 .1111 .1816 -.0626 .224 |
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C142 .1384 -.1976 -.0110 .224 |
|
C143 .2223 -.1655 .1010 .224 |
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C144 -.0584 .1484 -.1556 .224 |
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C145 -.0728 .2017 .0238 .224 |
|
C146 -.1145 -.2069 .0252 .224 |
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C147 -.0038 -.2054 .0787 .224 |
|
C148 -.1131 .1977 -.0502 .224 |
|
C149 -.0222 .1888 -.0959 .224 |
|
C150 .1223 -.2037 .0610 .224 |
|
C151 .3327 -.0391 .1309 .224 |
|
C152 -.0768 .0234 -.2062 .224 |
|
C153 .0153 .1321 .1513 .224 |
|
C154 -.2781 -.1369 -.0715 .224 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
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As Cr Pd |
| |
Deyris B, Roy-Montreuil J, Michel A, Fruchart R, Senateur J, Boursier D |
|   |
Annales de Chimie 4 (1979) 411-417 |
|
Influence de l'electronegativite sur l'apparition de l'ordre dans les |
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phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) |
|
_cod_database_code 1008979 |
|
_database_code_amcsd 0016842 |
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6.510 6.51 3.685 90 90 120 P-62m |
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atom x y z occ |
|
Cr1 .26 0 0 .28 |
|
Pd1 .26 0 0 .72 |
|
Cr2 .595 0 .5 .72 |
|
Pd2 .595 0 .5 .28 |
|
As1 0 0 .5 |
|
As2 1/3 2/3 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
As Cr Rh |
| |
Deyris B, Roy-Montreuil J, Michel A, Fruchart R, Senateur J, Boursier D |
|   |
Annales de Chimie 4 (1979) 411-417 |
|
Influence de l'electronegativite sur l'apparition de l'ordre dans les |
|
phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) |
|
_cod_database_code 1008980 |
|
_database_code_amcsd 0016843 |
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6.384 6.384 3.718 90 90 120 P-62m |
|
atom x y z |
|
Rh1 .261 0 0 |
|
Cr2 .588 0 .5 |
|
As1 0 0 .5 |
|
As2 1/3 2/3 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
As Mn Ru |
| |
Roy-Montreuil J, Deyris B, Michel A, Fruchart R, Senateur J, Boursier D |
|   |
Annales de Chimie 4 (1979) 411-417 |
|
Influence de l'electronegativite sur l'apparition de l'ordre dans les |
|
phases MM' P et MM' AS |
|
_cod_database_code 1008987 |
|
_database_code_amcsd 0016850 |
|
6.5155 6.5155 3.614 90 90 120 P-62m |
|
atom x y z |
|
Mn1 .594 0 .5 |
|
Ru1 .257 0 0 |
|
As1 0 0 .5 |
|
As2 1/3 2/3 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ta2CrO6 |
| |
Massard P, Bernier J, Michel A |
|   |
Annales de Chimie 1971 (1971) 41-52 |
|
Structure cristalline et proprietes de l'oxyde Ta2CrO6 |
|
_cod_database_code 1001091 |
|
_database_code_amcsd 0012007 |
|
4.745 4.745 9.305 90 90 90 P4_2/mnm |
|
atom x y z |
|
O1 .292 .292 .323 |
|
O2 .28 .28 0 |
|
Ta1 0 0 .334 |
|
Cr1 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba2FeUO6 |
| |
Grenet J, Poix P, Michel A |
|   |
Annales de Chimie 1971 (1971) 83-88 |
|
Etude cristallographique des composes Ba2FeUO6 et Ba2CrUO6 |
|
_cod_database_code 1001094 |
|
_database_code_amcsd 0012008 |
|
8.361 8.361 8.361 90 90 90 Fm3m |
|
atom x y z |
|
Ba1 .25 .25 .25 |
|
Fe1 .5 .5 .5 |
|
U1 0 0 0 |
|
O1 .259 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba2CrUO6 |
| |
Grenet J, Michel A |
|   |
Annales de Chimie 1971 (1971) 83-88 |
|
Etude cristallographique des composes Ba2FeUO6 et Ba2CrUO6 |
|
_cod_database_code 1001095 |
|
_database_code_amcsd 0012009 |
|
8.301 8.301 8.301 90 90 90 Pa3 |
|
atom x y z occ |
|
Ba1 .242 .242 .242 |
|
Cr1 .5 .5 .5 .96 |
|
U1 .5 .5 .5 .04 |
|
Cr2 0 0 0 .04 |
|
U2 0 0 0 .96 |
|
O1 .26 .01 .01 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Pb2Sn2O6(H2O) |
| |
Morgenstern Badarau I, Michel M |
|   |
Annales de Chimie 1971 (1971) 109-124 |
|
Sur un compose de type pyrochlore de formule Pb2Sn2O6(H2O)X |
|
_cod_database_code 1001092 |
|
_database_code_amcsd 0012010 |
|
10.7186 10.7186 10.7186 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
Pb1 0 0 0 |
|
Sn1 .5 .5 .5 |
|
O1 .4350 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Pb2Sn2O6 |
| |
Morgenstern Badarau I, Michel M |
|   |
Annales de Chimie 1971 (1971) 109-124 |
|
Sur un compose de type pyrochlore de formule Pb2Sn2O6(H2O)X |
|
_cod_database_code 1001093 |
|
_database_code_amcsd 0012011 |
|
10.7186 10.7186 10.7186 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
Pb1 0 0 0 |
|
Sn1 .5 .5 .5 |
|
O1 .4250 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba2MnUO6 |
| |
Grenet J, Poix P, Michel A |
|   |
Annales de Chimie 1972 (1972) 231-234 |
|
Determinations crystallographiques et magnetiques sur l'oxyde mixte de |
|
formule Ba2MnUO6 |
|
_cod_database_code 1001128 |
|
_database_code_amcsd 0012013 |
|
8.469 8.469 8.469 90 90 90 Fm3m |
|
atom x y z |
|
Ba1 .25 .25 .25 |
|
Mn1 .5 .5 .5 |
|
U1 0 0 0 |
|
O1 .25 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Cd O3 Pb |
| |
Levy-Clement C, Michel A |
|   |
Annales de Chimie 1972 (1972) 275-281 |
|
Sur un oxyde double Cd Pb O3 de type c des oxydes de lanthanides |
|
_cod_database_code 1001048 |
|
_database_code_amcsd 0012014 |
|
10.453 10.453 10.453 90 90 90 Ia3 |
|
atom x y z occ |
|
Cd1 .25 .25 .25 .5 |
|
Cd2 -.0313 0 .25 .5 |
|
Pb1 .25 .25 .25 .5 |
|
Pb2 -.0313 0 .25 .5 |
|
O1 .396 .163 .385 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Fe2.8 O4 Sn0.2 |
| |
Djega-Mariadassou C, Basile F, Poix P, Michel A |
|   |
Annales de Chimie 1973 (1973) 15-20 |
|
Preparation et proprietes cristallographiques des phases Fe3-x Snx |
|
O4 |
|
_cod_database_code 1001049 |
|
_database_code_amcsd 0012016 |
|
8.461 8.461 8.461 90 90 90 Fd3m |
|
atom x y z occ |
|
Fe1 0 0 0 |
|
Fe2 .625 .625 .625 .9 |
|
Sn1 .625 .625 .625 .1 |
|
O1 .379 .379 .379 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Fe2.6 O4 Sn0.4 |
| |
Djega-Mariadassou C, Basile F, Poix P, Michel A |
|   |
Annales de Chimie 1973 (1973) 15-20 |
|
Preparation et proprietes cristallographioues des phases Fe3-x Snx |
|
O4 |
|
_cod_database_code 1001050 |
|
_database_code_amcsd 0012017 |
|
8.529 8.529 8.529 90 90 90 Fd3m |
|
atom x y z occ |
|
Fe1 0 0 0 |
|
Fe2 .625 .625 .625 .8 |
|
Sn1 .625 .625 .625 .2 |
|
O1 .384 .384 .384 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Fe2.5 O4 Sn0.5 |
| |
Djega-Mariadassou C, Basile F, Poix P, Michel A |
|   |
Annales de Chimie 1973 (1973) 15-20 |
|
Preparation et proprietes cristallographiques des phases Fe3-x Snx |
|
O4 |
|
_cod_database_code 1001051 |
|
_database_code_amcsd 0012018 |
|
8.595 8.595 8.595 90 90 90 Fd3m |
|
atom x y z occ |
|
Fe1 0 0 0 |
|
Fe2 .625 .625 .625 .75 |
|
Sn1 .625 .625 .625 .25 |
|
O1 .381 .381 .381 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
B Co3 |
| |
Fruchart R, Michel A |
|   |
Bulletin de la Societe Chimique de France 1959 (1959) 422-423 |
|
Sur le borures de nickel, de cobalt et de fer isomorphes de la cementite |
|
_cod_database_code 1008999 |
|
_database_code_amcsd 0016861 |
|
5.221 6.631 4.408 90 90 90 Pnma |
|
atom x y z |
|
Co1 .186 .063 .328 |
|
Co2 .036 .25 .852 |
|
B1 .89 .25 .45 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Co Li O4 V |
| |
Bernier J, Poix P, Michel A |
|   |
Bulletin de la Societe Chimique de France 1963 (1963) 445-446 |
|
Etude cristallographique et magnetique de deux vanadates mixtes spinelles |
|
_cod_database_code 1001155 |
|
_database_code_amcsd 0012092 |
|
8.276 8.276 8.276 90 90 90 Fd3m |
|
atom x y z occ |
|
Li1 .625 .625 .625 .5 |
|
Co1 .625 .625 .625 .35 |
|
Co2 0 0 0 .3 |
|
V1 0 0 0 .7 |
|
V2 .625 .625 .625 .15 |
|
O1 .375 .375 .375 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Li Ni O4 V |
| |
Bernier J, Poix P, Michel A |
|   |
Bulletin de la Societe Chimique de France 1963 (1963) 445-446 |
|
Etude cristallographique et magnetique de deux vanadates mixtes spinelles |
|
_cod_database_code 1001156 |
|
_database_code_amcsd 0012093 |
|
8.215 8.215 8.215 90 90 90 Fd3m |
|
atom x y z occ |
|
Li1 .625 .625 .625 .5 |
|
Ni1 .625 .625 .625 .425 |
|
Ni2 0 0 0 .15 |
|
V1 0 0 0 .85 |
|
V2 .625 .625 .625 .075 |
|
O1 .375 .375 .375 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Zn2VO4 |
| |
Bernier J, Poix P, Michel A |
|   |
Bulletin de la Societe Chimique de France 1963 (1963) 1724-1728 |
|
Etude cristallographique des phases de type spinelle Mn2VO4, |
|
Zn2VO4, Co2VO4 |
|
_cod_database_code 1001152 |
|
_database_code_amcsd 0012094 |
|
8.395 8.395 8.395 90 90 90 Fd3m |
|
atom x y z occ |
|
Zn1 0 0 0 .98 |
|
Zn2 .625 .625 .625 .51 |
|
V1 0 0 0 .02 |
|
V2 .625 .625 .625 .49 |
|
O1 .375 .375 .375 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Co2VO4 |
| |
Bernier J, Poix P, Michel A |
|   |
Bulletin de la Societe Chimique de France 1963 (1963) 1724-1728 |
|
Etude cristallographique des phases de type spinelle Mn2VO4, |
|
Zn2VO4, Co2VO4 |
|
_cod_database_code 1001153 |
|
_database_code_amcsd 0012095 |
|
8.382 8.382 8.382 90 90 90 Fd3m |
|
atom x y z occ |
|
Co1 0 0 0 .88 |
|
Co2 .625 .625 .625 .56 |
|
V1 0 0 0 .12 |
|
V2 .625 .625 .625 .44 |
|
O1 .380 .380 .380 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Mn2VO4 |
| |
Bernier J, Poix P, Michel A |
|   |
Bulletin de la Societe Chimique de France 1963 (1963) 1724-1728 |
|
Etude cristallographique des phases de type spinelle Mn2VO4, |
|
Zn2VO4, Co2VO4 |
|
_cod_database_code 1001154 |
|
_database_code_amcsd 0012096 |
|
8.575 8.575 8.575 90 90 90 Fd3m |
|
atom x y z occ |
|
Mn1 0 0 0 .8 |
|
Mn2 .625 .625 .625 .6 |
|
V1 0 0 0 .2 |
|
V2 .625 .625 .625 .4 |
|
O1 .382 .382 .382 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Mn Nb Si |
| |
Deyris B, Roy-Montreuil J, Fruchart R, Michel A |
|   |
Bulletin de la Societe Chimique de France 1968 (1968) 1303-1304 |
|
Etude cristallographique du compose Nb Mn Si |
|
_cod_database_code 1008919 |
|
_database_code_amcsd 0016786 |
|
6.416 6.416 3.553 90 90 120 P-62m |
|
atom x y z |
|
Nb1 .589 0 .5 |
|
Mn1 .242 0 0 |
|
Si1 1/3 2/3 0 |
|
Si2 0 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H3 O7 Ta W |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001163 |
|
_database_code_amcsd 0012101 |
|
10.39 10.39 10.39 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .5 |
|
W1 .5 .5 .5 .5 |
|
O1 .44 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H3.4 O7 Ta1.4 W0.6 |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001164 |
|
_database_code_amcsd 0012102 |
|
10.485 10.485 10.485 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .7 |
|
W1 .5 .5 .5 .3 |
|
O1 .445 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H3.8 O7 Ta1.8 W0.2 |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001165 |
|
_database_code_amcsd 0012103 |
|
10.55 10.55 10.55 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .9 |
|
W1 .5 .5 .5 .1 |
|
O1 .435 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H4 O7 Ta2 |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001166 |
|
_database_code_amcsd 0012104 |
|
10.58 10.58 10.58 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
Ta1 .5 .5 .5 |
|
O1 .435 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H4 N O6 Ta W |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001167 |
|
_database_code_amcsd 0012105 |
|
10.358 10.358 10.358 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .5 |
|
W1 .5 .5 .5 .5 |
|
N1 .125 .125 .125 |
|
O1 .43 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba3 Cu2 Hg O10 Sr Tl2 |
| |
Goutenoire F, Hervieu M, Martin C, Maignan A, Michel C, Letouze F, Raveau B |
|   |
Chemistry of Materials 6 (1994) 1654-1658 |
|
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10 |
|
_cod_database_code 1000369 |
|
_database_code_amcsd 0012201 |
|
3.8289 3.8289 41.75699 90 90 90 I4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 |
|
Tl1 0 0 .2237 |
|
Cu1 0 0 .1135 |
|
Ba1 .5 .5 .0664 .75 |
|
Sr1 .5 .5 .0664 .25 |
|
Ba2 .5 .5 .1596 .75 |
|
Sr2 .5 .5 .1596 .25 |
|
O1 0 0 .050 |
|
O2 .5 0 .114 |
|
O3 0 0 .174 |
|
O4 .5 .5 .228 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Cu6 Fe2 La4.4 O20 Sr3.6 |
| |
Genouel R, Michel C, Raveau B |
|   |
Chemistry of Materials 7 (1995) 2181-2184 |
|
Powder neutron diffraction study of the ordered oxygen-deficient |
|
perovskites (La, Sr)8 Cu8-x Fex O20 |
|
_cod_database_code 1001701 |
|
_database_code_amcsd 0012207 |
|
10.7480 10.7480 3.8976 90 90 90 P4/mbm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La1 .2571 .4726 .5 .55 |
|
Sr1 .2571 .4726 .5 .45 |
|
Cu1 0 0 0 .14 |
|
Fe1 0 0 0 .86 |
|
Cu2 .5 0 0 |
|
Cu3 .2251 .7251 0 .93 |
|
Fe2 .2251 .7251 0 .07 |
|
O1 0 0 .5 |
|
O2 .5 0 .5 .0150 .0150 .0117 .0061 0 0 |
|
O3 .2202 .7202 .5 .0084 .0084 .0011 .006 0 0 |
|
O4 .3768 .8768 0 |
|
O5 .1569 .0962 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Cu6.8 Fe1.2 La5.2 O20 Sr2.8 |
| |
Genouel R, Michel C, Raveau B |
|   |
Chemistry of Materials 7 (1995) 2181-2184 |
|
Powder neutron diffraction study of the ordered oxygen-deficient |
|
perovskites (La, Sr)8 Cu8-x Fex O20 |
|
_cod_database_code 1001702 |
|
_database_code_amcsd 0012208 |
|
10.7870 10.7870 3.8915 90 90 90 P4/mbm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La1 .2585 .4710 .5 .65 |
|
Sr1 .2585 .4710 .5 .35 |
|
Cu1 0 0 0 .4 |
|
Fe1 0 0 0 .6 |
|
Cu2 .5 0 0 |
|
Cu3 .2225 .7225 0 |
|
O1 0 0 .5 |
|
O2 .5 0 .5 .0297 .0297 .0043 .0123 0 0 |
|
O3 .2195 .7195 .5 .0182 .0182 .0041 .0092 0 0 |
|
O4 .3768 .8768 0 |
|
O5 .1578 .0958 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Cu6.8 Fe1.2 La6.4 O20 Sr1.6 |
| |
Genouel R, Michel C, Raveau B |
|   |
Chemistry of Materials 7 (1995) 2181-2184 |
|
Powder neutron diffraction study of the ordered oxygen-deficient |
|
perovskites (La, Sr)8 Cu8-x Fex O20 |
|
_cod_database_code 1001703 |
|
_database_code_amcsd 0012209 |
|
10.8088 10.8088 3.8992 90 90 90 P4/mbm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
La1 .2582 .4707 .5 .8 |
|
Sr1 .2582 .4707 .5 .2 |
|
Cu1 0 0 0 .4 |
|
Fe1 0 0 0 .6 |
|
Cu2 .5 0 0 |
|
Cu3 .2202 .7202 0 |
|
O1 0 0 .5 |
|
O2 .5 0 .5 .0516 .0516 .0067 .0029 0 0 |
|
O3 .2198 .7198 .5 .0324 .0324 .0078 .0090 0 0 |
|
O4 .3754 .8754 0 |
|
O5 .1611 .0928 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Tl3(CrO4)Sr8Cu4O16 |
| |
Martin C, Letouze F, Maignan A, Seshadri R, Michel C, Hervieu M, Raveau B |
|   |
Chemistry of Materials 8 (1996) 865-873 |
|
The superconducting copper oxychromate Tl3(CrO4)Sr8Cu4O16: long- |
|
range ordering between thallium and chromium |
|
_cod_database_code 1001725 |
|
_database_code_amcsd 0012210 |
|
3.778 15.244 17.67699 90 90 90 Amm2 |
|
atom x y z |
|
Tl1 0 .218 0 |
|
Tl2 0 0 0 |
|
Cr1 0 0 .5 |
|
Cu1 0 0 .7471 |
|
Cu2 0 0 .2529 |
|
Cu3 0 .25 .25 |
|
Sr1 .5 .121 .1523 |
|
Sr2 .5 .366 .1474 |
|
Sr3 .5 .134 .3526 |
|
Sr4 .5 .378 .3477 |
|
O1 .5 0 .267 |
|
O2 .5 0 .733 |
|
O3 .5 .25 .25 |
|
O4 0 .125 .2562 |
|
O5 0 .125 .7438 |
|
O6 0 0 .102 |
|
O7 0 0 .430 |
|
O8 0 0 .570 |
|
O9 0 0 .898 |
|
O10 0 .25 .108 |
|
O11 0 .25 .892 |
|
O12 .5 .125 0 |
|
O13 .5 .109 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba2 Ca0.424 Cu2 O7 Pr0.576 Tl |
| |
Sundaresan A, Michel C, Raveau B, Huong P |
|   |
Chemistry of Materials 9 (1997) 2212-2217 |
|
Charge-transfer-induced insulator-superconductor transition in |
|
TlBa2-xSrxCa0.4Pr0.6Cu2O7-d: a joint neutron/X ray Rietveld refinement, |
|
infrared absorption, and Raman scattering studies |
|
_cod_database_code 1001790 |
|
_database_code_amcsd 0012213 |
|
3.88416 3.88416 12.5430 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 .0843 0 .25 |
|
Ba1 .5 .5 .2103 |
|
Ca1 .5 .5 .5 .424 |
|
Pr1 .5 .5 .5 .576 |
|
Cu1 0 0 .3675 |
|
O1 0 0 .1644 |
|
O2 .5 0 .3790 |
|
O3 .5 .395 0 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba Ca0.432 Cu2 O6.98 Pr0.568 Sr Tl0.964 |
| |
Sundaresan A, Michel C, Raveau B, Huong P |
|   |
Chemistry of Materials 9 (1997) 2212-2217 |
|
Charge-transfer-induced insulator-superconductor transition in |
|
TlBa2-xSrxCa0.4Pr0.6Cu2O7-d: a joint neutron/X ray Rietveld refinement, |
|
infrared absorption, and Raman scattering studies |
|
_cod_database_code 1001791 |
|
_database_code_amcsd 0012214 |
|
3.85262 3.85262 12.2813 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 .080 0 .241 |
|
Ba1 .5 .5 .2094 .5 |
|
Sr1 .5 .5 .2094 .5 |
|
Ca1 .5 .5 .5 .432 |
|
Pr1 .5 .5 .5 .568 |
|
Cu1 0 0 .3621 |
|
O1 0 0 .1681 |
|
O2 .5 0 .3742 |
|
O3 .5 .399 0 .245 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ca0.48 Cu2 O6.96 Pr0.52 Sr2 Tl0.94 |
| |
Sundaresan A, Michel C, Raveau B, Huong P |
|   |
Chemistry of Materials 9 (1997) 2212-2217 |
|
Charge-transfer-induced insulator-superconductor transition in |
|
TlBa2-xSrxCa0.4Pr0.6Cu2O7-d: a joint neutron/X ray Rietveld refinement, |
|
infrared absorption, and Raman scattering studies |
|
_cod_database_code 1001792 |
|
_database_code_amcsd 0012215 |
|
3.82620 3.82620 12.1262 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 .073 0 .235 |
|
Sr1 .5 .5 .2101 |
|
Ca1 .5 .5 .5 .48 |
|
Pr1 .5 .5 .5 .52 |
|
Cu1 0 0 .3580 |
|
O1 0 0 .1697 |
|
O2 .5 0 .3693 |
|
O3 .5 .402 0 .240 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
O5 Si Y2 |
| |
Michel C, Buisson G, Bertaut E |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 264 (1967) 397-399 |
|
Structure de Y2 Si O5 |
|
_cod_database_code 1001838 |
|
_database_code_amcsd 0012264 |
|
14.59 10.52 6.82 90 90 122.25 B2/b |
|
atom x y z |
|
Y1 .537 -.031 .241 |
|
Y2 .357 -.335 .880 |
|
Si1 .316 -.304 .414 |
|
O1 .374 -.334 .213 |
|
O2 .407 -.156 .492 |
|
O3 .204 -.325 .372 |
|
O4 .312 -.404 .594 |
|
O5 .519 -.106 .915 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ge Mn Nb |
| |
Roy-Montreuil J, Deyris B, Fruchart R, Michel A |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 615-617 |
|
Etude sur la structure cristallographique du compose Nb Mn Ge |
|
_cod_database_code 1008964 |
|
_database_code_amcsd 0016829 |
|
6.540 6.540 3.631 90 90 120 P-62m |
|
atom x y z |
|
Nb1 .582 0 .5 |
|
Mn1 .252 0 0 |
|
Ge1 1/3 2/3 0 |
|
Ge2 0 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Fe3Ge |
| |
Turbil J, Billiet Y, Michel A |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 269 (1969) 309-311 |
|
Contribution a l'etude cristallographique de la phase Fe3 Ge de |
|
structure D O19 |
|
_cod_database_code 1001144 |
|
_database_code_amcsd 0012279 |
|
5.169 5.169 4.222 90 90 120 P6_3/mmc |
|
atom x y z |
|
Fe1 .839 .678 .25 |
|
Ge1 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
La2.4 Mo1.6 O8 |
| |
Hubert P, Michel P, Vincent C |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 269 (1969) 1287-1289 |
|
Structure du molybdite de lanthane La3 Mo2 O10 |
|
_cod_database_code 1001176 |
|
_database_code_amcsd 0012282 |
|
5.61 5.61 5.61 90 90 90 Fm3m |
|
atom x y z occ |
|
La1 0 0 0 .6 |
|
Mo1 0 0 0 .1 |
|
Mo2 0 0 0 .3 |
|
O1 .25 .25 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba3Fe2WO9 |
| |
Seveque F, Delamoye P, Poix P, Michel A |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 269 (1969) 1536-1538 |
|
Preparation et caracteres cristallographiques de l'oxyde mixte Ba3Fe2WO9 |
|
_cod_database_code 1001175 |
|
_database_code_amcsd 0012283 |
|
5.770 5.770 14.140 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Ba1 0 0 .25 |
|
Ba2 1/3 2/3 .096 |
|
Fe1 0 0 0 |
|
Fe2 1/3 2/3 .848 .5 |
|
W1 1/3 2/3 .848 .5 |
|
O1 .51 .02 .25 |
|
O2 .838 .676 .076 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Cd1.333 O4 Sn1.333 |
| |
Levy-Clement C, Morgenstern Badarau I, Billiet Y, Michel A |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 270 (1970) 1860-1862 |
|
Mise en evidence d'une nouvelle variete structurale de type spinelle |
|
lacunaire de l'oxyde mixte Cd Sn O3 |
|
_cod_database_code 1001145 |
|
_database_code_amcsd 0012284 |
|
9.151 9.151 9.151 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Cd1 .125 .125 .125 .813 |
|
Cd2 .5 .5 .5 .260 |
|
Sn1 .5 .5 .5 .667 |
|
O1 .258 .258 .258 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H1.4 O6.7 Pb2 Sn2 |
| |
Morgenstern Badarau I, Michel A |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 271 (1970) 1313-1316 |
|
Mise en evidence d'une nouvelle phase de type pyrochlore: Pb2Sn2O6(H2O)x |
|
_cod_database_code 1001146 |
|
_database_code_amcsd 0012285 |
|
10.7186 10.7186 10.7186 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Pb1 0 0 0 |
|
Sn1 .5 .5 .5 |
|
O1 -.435 .375 .375 |
|
O2 .125 .125 .125 .7 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
AgTaWO6(H2O) |
| |
Groult D, Michel C, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 274 (1972) 374-377 |
|
Sur deux pyrochlores inedits: AgTaWO6(H2O) et AgNbWO6(H2O) |
|
_cod_database_code 1001147 |
|
_database_code_amcsd 0012292 |
|
10.402 10.402 10.402 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ag1 0 0 0 .5 |
|
Ta1 .5 .5 .5 .5 |
|
W1 .5 .5 .5 .5 |
|
O1 .435 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
AgNbWO6(H2O) |
| |
Groult D, Michel C, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 274 (1972) 374-377 |
|
Sur deux pyrochlores inedits: AgTaWO6(H2O) et AgNbWO6(H2O) |
|
_cod_database_code 1001148 |
|
_database_code_amcsd 0012293 |
|
10.416 10.416 10.416 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ag1 0 0 0 .5 |
|
Nb1 .5 .5 .5 .5 |
|
W1 .5 .5 .5 .5 |
|
O1 .44 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
O6 Ta1.5 Tl1.5 W0.5 |
| |
Allais G, Michel C, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 274 (1972) 1625-1628 |
|
Contribution a l'etude des pyrochlores de thallium non |
|
stoechiometriques Tl2-x Ta1+x W1-x O6 |
|
_cod_database_code 1001149 |
|
_database_code_amcsd 0012295 |
|
10.523 10.523 10.523 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Tl1 0 0 0 .5 |
|
Tl2 .17 .17 .17 .125 |
|
Ta1 .5 .5 .5 .75 |
|
W1 .5 .5 .5 .25 |
|
O1 .435 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba2 Cu3 La O6.7 |
| |
Hervieu M, Nguyen N, Michel C, Deslandes F, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 305 (1987) 1063-1068 |
|
A preliminary X-ray diffraction study of the tetragonal superconducting |
|
oxide La Ba2 Cu3 O7-d |
|
_cod_database_code 1001677 |
|
_database_code_amcsd 0012300 |
|
3.895 3.895 11.727 90 90 90 P4/mmm |
|
atom x y z occ |
|
La1 .5 .5 .5 |
|
Ba1 .5 .5 .1846 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3521 |
|
O1 0 0 .1720 .325 |
|
O2 0 .5 .3849 |
|
O3 .5 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba2 Ca2 Cu3 O8.84 Tl0.93 |
| |
Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 27-32 |
|
Tl Ba2-x Ca2+x Cu3 O10-y : un supraconducteur a 120 K, nouveau |
|
terme d'une grande famille d'intercroissances de couches multiples |
|
types chlorure de sodium et de couches multiples de type perovskite |
|
deficitaires en oxygene |
|
_cod_database_code 1001373 |
|
_database_code_amcsd 0012301 |
|
3.844 3.844 15.88 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 .93 |
|
Ba1 .5 .5 .3259 |
|
Ca1 .5 .5 .092 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .1934 |
|
O1 0 .5 0 |
|
O2 0 0 .10 .32 |
|
O3 0 .5 .204 .80 |
|
O4 0 0 .328 |
|
O5 .5 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
K2 O9 P2 W |
| |
Borel M, Leclaire A, Chardon J, Michel C, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 324 (1997) 189-195 |
|
New molybdeno- and tungstodiphosphates with the (NH4)2MoO2P2O7 chain-like structure |
|
_cod_database_code 1001766 |
|
_database_code_amcsd 0012320 |
|
13.766 8.002 15.497 90 98.34 90 C2/c |
|
atom x y z |
|
W1 .11472 .14487 .13527 |
|
P1 .1283 .0821 .3443 |
|
P2 -.0367 .5596 .5768 |
|
K1 .3543 .1619 .2613 |
|
K2 .1436 .5817 -.0216 |
|
O1 .1468 .331 .1866 |
|
O2 .2255 .075 .1120 |
|
O3 .0711 .25 .0195 |
|
O4 .1220 .019 .2491 |
|
O5 -.0367 .181 .1449 |
|
O6 .0525 -.088 .0821 |
|
O7 .1257 -.090 .3965 |
|
O8 .2226 .167 .3780 |
|
O9 -.0259 .352 .6296 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Cu2 O5.667 Pr Sr2 |
| |
Lucas S, Caignaert V, Hervieu M, Michel C, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 29 (1992) 399-409 |
|
The layered cuprates Sr2-xLn1+xCu2O6-d: a structure built up |
|
from the two limit structures Sr2LnCu2O6 and Sr6Ln3Cu6O17 |
|
(Ln=Pr,Y) |
|
_cod_database_code 1001506 |
|
_database_code_amcsd 0012554 |
|
3.7626 11.5157 20.1199 90 90 90 Immm |
|
atom x y z occ |
|
Pr1 0 0 0 |
|
Sr1 0 .3005 0 .27 |
|
Pr2 0 .3005 0 .73 |
|
Sr2 0 0 .1968 .73 |
|
Pr3 0 0 .1968 .27 |
|
Sr3 0 .3229 .1772 |
|
Cu1 0 0 .5881 |
|
Cu2 0 .3517 .6007 |
|
O1 0 .1614 .4152 |
|
O2 0 .1361 .0976 |
|
O3 0 0 .6849 |
|
O4 0 .3482 .7012 |
|
O5 0 .3668 .5 |
|
O6 .295 0 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba Cu O6 Sr Tl2 |
| |
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18 |
|
The influence of alkaline-earth ions on the properties of the "2201" |
|
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d |
|
_cod_database_code 1001521 |
|
_database_code_amcsd 0012561 |
|
3.7988 3.7988 22.7109 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .042 0 .2019 .25 |
|
Ba1 .5 .5 .0830 .5 |
|
Sr1 .5 .5 .0830 .5 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .107 |
|
O3 .62 0 .207 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Cu O6 Sr2 Tl2 |
| |
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18 |
|
The influence of alkaline-earth ions on the properties of the "2201" |
|
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d |
|
_cod_database_code 1001522 |
|
_database_code_amcsd 0012562 |
|
3.7464 3.7464 22.3013 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .044 0 .2009 .25 |
|
Sr1 .5 .5 .0806 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .107 |
|
O3 .58 0 .206 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
BiPbBaLaCuO6 |
| |
Michel C, Pelloquin D, Hervieu M, Raveau B, Bouree F |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 991-996 |
|
Neutron diffraction study of the modulation free 2201-type structure: BiPbBaLaCuO6 |
|
_cod_database_code 1001570 |
|
_database_code_amcsd 0012585 |
|
5.4071 5.4895 24.549 90 90 90 Pnan |
|
atom x y z occ |
|
Bi1 -.0052 .2666 .0605 .5 |
|
Pb1 -.0052 .2666 .0605 .5 |
|
Ba1 .0089 .75 .1756 .5 |
|
La1 .0089 .75 .1756 .5 |
|
Cu1 .5 .75 .25 |
|
O1 .75 0 .25 |
|
O2 .4966 .7814 .1464 |
|
O3 .9025 .6450 .0696 .5 |
|
O4 .0975 .6450 .0696 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Cu1.85 Fe0.3 O10 Sr4 Tl0.85 |
| |
Letouze F, Martin C, Hervieu M, Nguyen N, Maignan A, Michel C, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 983-990 |
|
Stabilisation of a thallium oxycarbonate by trivalent iron: |
|
Tl0.85Sr4Cu1.85Fe0.30(CO3)O7 |
|
_cod_database_code 1001793 |
|
_database_code_amcsd 0012611 |
|
3.8246 3.8246 16.5069 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .069 0 0 .2125 |
|
Fe1 .069 0 0 .0175 |
|
Cu1 .069 0 0 .02 |
|
Sr1 .5 .5 .1587 |
|
Sr2 .5 .5 .3737 |
|
Cu2 0 0 .2634 .885 |
|
Fe2 0 0 .2634 .115 |
|
C1 0 0 .5 |
|
O1 .53 .5 0 .25 |
|
O2 0 0 .123 |
|
O3 .146 0 .418 .25 |
|
O4 .34 0 .5 .25 |
|
O5 .5 0 .271 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba1.95 Ca Cu2 Hg0.69 O7 Sr0.05 V0.31 |
| |
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074 |
|
Structural evolution and physical properties of the 1212 superconductor |
|
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d |
|
_cod_database_code 1001794 |
|
_database_code_amcsd 0012613 |
|
3.8687 3.8687 12.496 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .69 |
|
V1 .1 0 0 .0775 |
|
Ba1 .5 .5 .2179 .975 |
|
Sr1 .5 .5 .2179 .025 |
|
Ca1 .5 .5 .5 |
|
Cu1 0 0 .3769 |
|
O1 0 .5 .378 |
|
O2 0 0 .148 |
|
O3 .365 .365 0 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba1.7 Ca Cu2 Hg0.67 O7 Sr0.3 V0.33 |
| |
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074 |
|
Structural evolution and physical properties of the 1212 superconductor |
|
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d |
|
_cod_database_code 1001795 |
|
_database_code_amcsd 0012614 |
|
3.8643 3.8643 12.445 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .67 |
|
V1 .1 0 0 .0825 |
|
Ba1 .5 .5 .2182 .85 |
|
Sr1 .5 .5 .2182 .15 |
|
Ca1 .5 .5 .5 |
|
Cu1 0 0 .3733 |
|
O1 0 .5 .376 |
|
O2 0 0 .147 |
|
O3 .365 .365 0 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba1.59 Ca0.9 Cu2 Hg0.69 O7 Sr0.51 V0.31 |
| |
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074 |
|
Structural evolution and physical properties of the 1212 superconductor |
|
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d |
|
_cod_database_code 1001796 |
|
_database_code_amcsd 0012615 |
|
3.8628 3.8628 12.407 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .69 |
|
V1 .1 0 0 .0775 |
|
Ba1 .5 .5 .2168 .795 |
|
Sr1 .5 .5 .2168 .205 |
|
Ca1 .5 .5 .5 .9 |
|
Sr2 .5 .5 .5 .1 |
|
Cu1 0 0 .3715 |
|
O1 0 .5 .370 |
|
O2 0 0 .148 |
|
O3 .365 .365 0 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba1.33 Ca0.87 Cu2 Hg0.69 O7 Sr0.8 V0.31 |
| |
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074 |
|
Structural evolution and physical properties of the 1212 superconductor |
|
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d |
|
_cod_database_code 1001797 |
|
_database_code_amcsd 0012616 |
|
3.8601 3.8601 12.350 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .69 |
|
V1 .1 0 0 .0775 |
|
Ba1 .5 .5 .2171 .665 |
|
Sr1 .5 .5 .2171 .335 |
|
Ca1 .5 .5 .5 .87 |
|
Sr2 .5 .5 .5 .13 |
|
Cu1 0 0 .3699 |
|
O1 0 .5 .368 |
|
O2 0 0 .151 |
|
O3 .365 .365 0 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba1.13 Ca0.8 Cu2 Hg0.69 O7 Sr1.07 V0.31 |
| |
Knizek K, Malo S, Michel C, Maignan A, Pollert E, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 1063-1074 |
|
Structural evolution and physical properties of the 1212 superconductor |
|
series Hg0.7 V0.3 Ba2-x Srx Ca1-y Sry Cu2 O6+d |
|
_cod_database_code 1001798 |
|
_database_code_amcsd 0012617 |
|
3.8575 3.8575 12.295 90 90 90 P4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .69 |
|
V1 .1 0 0 .0775 |
|
Ba1 .5 .5 .2155 .565 |
|
Sr1 .5 .5 .2155 .435 |
|
Ca1 .5 .5 .5 .8 |
|
Sr2 .5 .5 .5 .2 |
|
Cu1 0 0 .3670 |
|
O1 0 .5 .368 |
|
O2 0 0 .147 |
|
O3 .365 .365 0 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H3 O7 Sb W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 35 (1973) 3095-3101 |
|
Sur de Nouveaux Pyrochlores ASbWO6 (A = (H3O), (NH4) et |
|
AgSbWO6(H2O) |
|
_cod_database_code 1001062 |
|
_database_code_amcsd 0013030 |
|
10.278 10.278 10.278 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .375 .375 .375 |
|
O2 .327 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H4 N O6 Sb W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 35 (1973) 3095-3101 |
|
Sur de Nouveaux Pyrochlores ASbWO6 (A = (H3O), (NH4) et |
|
AgSbWO6(H2O) |
|
_cod_database_code 1001063 |
|
_database_code_amcsd 0013031 |
|
10.252 10.252 10.252 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
N1 .375 .375 .375 |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .325 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ag H2 O7 Sb W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 35 (1973) 3095-3101 |
|
Sur de Nouveaux Pyrochlores ASbWO6 (A = (H3O), (NH4) et |
|
AgSbWO6(H2O) |
|
_cod_database_code 1001064 |
|
_database_code_amcsd 0013032 |
|
10.303 10.303 10.303 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ag1 .5 .5 .5 .5 |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .314 .125 .125 |
|
O2 .375 .375 .375 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H1.1 Nb O6.05 W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 36 (1974) 61-66 |
|
Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium |
|
H3 O M W O6, H4 O M2 O6 et N H4 M W O6 (M=Nb, Ta) |
|
_cod_database_code 1001035 |
|
_database_code_amcsd 0013033 |
|
10.355 10.355 10.355 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Nb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .324 .125 .125 .92 |
|
O2 .375 .375 .375 .55 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H1.5 O6.25 Ta W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 36 (1974) 61-66 |
|
Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium |
|
H3 O M W O6, H4 O M2 O6 et N H4 M W O6 (M = Nb, Ta) |
|
_cod_database_code 1001199 |
|
_database_code_amcsd 0013034 |
|
10.319 10.319 10.319 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .324 .125 .125 .92 |
|
O2 .375 .375 .375 .75 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H2 Li Nb O7 W |
| |
Michel C, Groult D, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 247-250 |
|
Proprietes d'echange d'ions des pyrochlores A B2 O6 - I |
|
_cod_database_code 1001033 |
|
_database_code_amcsd 0013035 |
|
10.397 10.397 10.397 90 90 90 Fd3m |
|
atom x y z occ |
|
Li1 .625 .625 .625 .5 |
|
Nb1 .125 .125 .125 .5 |
|
W1 .125 .125 .125 .5 |
|
O1 .318 0 0 |
|
O2 .5 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Plumbopyrochlore |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013036 |
|
10.578 10.578 10.578 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Pb .5 .5 .5 .5 .7 |
|
Nb 0 0 0 1.3 |
|
O .311 .125 .125 .6 |
|
Wat .5 .5 .5 .5 1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Plumbomicrolite |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013037 |
|
10.560 10.560 10.560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Pb .5 .5 .5 .5 .5 |
|
Ta 0 0 0 1.1 |
|
O .329 .125 .125 1.2 |
|
Wat .5 .5 .5 .5 1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
CdNb2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013038 |
|
10.443 10.443 10.443 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Cd .5 .5 .5 .5 .7 |
|
Nb 0 0 0 1.3 |
|
O .321 .125 .125 .3 |
|
Wat .5 .5 .5 .5 1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
CdTa2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013039 |
|
10.433 10.433 10.433 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Cd .5 .5 .5 .5 .3 |
|
Ta 0 0 0 .9 |
|
O .343 .125 .125 1.4 |
|
Wat .5 .5 .5 .5 1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ca0.40H1.20Nb2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013040 |
|
10.512 10.512 10.512 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ca .5 .5 .5 .2 .1 |
|
H .5 .5 .5 .6 .1 |
|
Nb 0 0 0 1.0 |
|
O .315 .125 .125 2.4 |
|
Wat .5 .5 .5 .5 3.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ca0.50HTa2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013041 |
|
10.478 10.478 10.478 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ca .5 .5 .5 .25 .0 |
|
H .5 .5 .5 .5 .0 |
|
Ta 0 0 0 1.0 |
|
O .316 .125 .125 .8 |
|
Wat .5 .5 .5 .5 1.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Sr0.40H1.20Nb2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013042 |
|
10.560 10.560 10.560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Sr .5 .5 .5 .2 1.1 |
|
H .5 .5 .5 .6 1.1 |
|
Nb 0 0 0 1.0 |
|
O .313 .125 .125 .6 |
|
Wat .5 .5 .5 .5 3.4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Sr0.25H1.50Ta2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013043 |
|
10.554 10.554 10.554 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Sr .5 .5 .5 .125 .0 |
|
H .5 .5 .5 .75 .0 |
|
Ta 0 0 0 1.1 |
|
O .320 .125 .125 2.2 |
|
Wat .5 .5 .5 .5 3.2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba0.50HNb2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013044 |
|
10.607 10.607 10.607 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ba .5 .5 .5 .25 1.4 |
|
H .5 .5 .5 .5 1.4 |
|
Nb 0 0 0 1.0 |
|
O .307 .125 .125 2.2 |
|
Wat .5 .5 .5 .5 2.3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba0.40H1.20Ta2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013045 |
|
10.589 10.589 10.589 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ba .5 .5 .5 .2 1.4 |
|
H .5 .5 .5 .6 1.4 |
|
Ta 0 0 0 .9 |
|
O .313 .125 .125 1.5 |
|
Wat .5 .5 .5 .5 2.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Pyrochlore |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001264 |
|
_database_code_amcsd 0013046 |
|
10.512 10.512 10.512 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Nb1 0 0 0 |
|
Ca1 .5 .5 .5 .2 |
|
O1 .375 .375 .375 |
|
O2 .315 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H3.2 Nb2 O7 Sr0.4 |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001265 |
|
_database_code_amcsd 0013047 |
|
10.560 10.560 10.560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Nb1 0 0 0 |
|
Sr1 .5 .5 .5 .2 |
|
O1 .375 .375 .375 |
|
O2 .313 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Microlite |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001267 |
|
_database_code_amcsd 0013048 |
|
10.478 10.478 10.478 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 |
|
Ca1 .5 .5 .5 .25 |
|
O1 .375 .375 .375 |
|
O2 .316 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
H3.5 O7 Sr0.25 Ta2 |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001268 |
|
_database_code_amcsd 0013049 |
|
10.554 10.554 10.554 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 |
|
Sr1 .5 .5 .5 .125 |
|
O1 .375 .375 .375 |
|
O2 .320 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Bariomicrolite |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001723 |
|
_database_code_amcsd 0013050 |
|
10.589 10.589 10.589 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 |
|
Ba1 .5 .5 .5 .2 |
|
O1 .375 .375 .375 |
|
O2 .313 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Bariopyrochlore |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001817 |
|
_database_code_amcsd 0013051 |
|
10.607 10.607 10.607 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Nb1 0 0 0 |
|
Ba1 .5 .5 .5 .25 |
|
O1 .375 .375 .375 |
|
O2 .307 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Jeanbandyite |
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Morgenstern-Badarau I, Michel A |
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Journal of Inorganic and Nuclear Chemistry 38 (1976) 1400-1402 |
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Sur l'existence d'un oxyhydroxyde double de fer(III) et d'etain(IV) |
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Locality: synthetic |
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_database_code_amcsd 0013052 |
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7.757 7.757 7.757 90 90 90 *Pn3 |
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.25 .25 .25 |
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atom x y z Biso |
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Sn .5 .5 .5 .95 |
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Fe 0 0 0 1.1 |
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O -.068 .068 .251 .84 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Cu Fe O6 Pb2 Sr2 |
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Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B |
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Journal of Materials Chemistry 5 (1995) 1163-1170 |
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An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 |
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_cod_database_code 1001710 |
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_database_code_amcsd 0013075 |
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5.4604 5.5227 12.2112 90 90 90 Cmmm |
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atom x y z occ |
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Cu1 0 0 0 |
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Pb1 0 .5 .1446 |
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Sr1 0 0 .3569 |
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Fe1 .5 0 .5 |
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O1 .096 .079 .147 .25 |
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O2 0 .5 .332 |
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O3 .25 .25 .5 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Cu Fe O6 Pb2 Sr2 |
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Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B |
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Journal of Materials Chemistry 5 (1995) 1163-1170 |
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An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 |
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_cod_database_code 1001711 |
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_database_code_amcsd 0013076 |
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5.4606 5.5228 12.2112 90 90 90 P2an |
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atom x y z |
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Cu1 0 0 0 |
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Pb1 0 .506 .1445 |
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Sr1 0 -.002 .3567 |
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Fe1 .5 0 .5 |
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O1 .108 -.090 .145 |
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O2 0 .5 .332 |
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O3 .25 .25 .5 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Cu Fe O6 Pb2 Sr2 |
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Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B |
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Journal of Materials Chemistry 5 (1995) 1163-1170 |
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An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 |
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_cod_database_code 1001712 |
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_database_code_amcsd 0013077 |
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5.4604 5.5227 12.2110 90 90 90 P2_1am |
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atom x y z |
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Cu1 .25 .25 0 |
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Pb1 .25 .751 .1446 |
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Sr1 .25 .256 .3570 |
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Fe1 .25 .75 .5 |
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O1 .164 .176 .148 |
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O2 .25 .75 .333 |
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O3 0 0 .5 |
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O4 .5 .5 .5 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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BiFeO3 |
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Moreau J, Michel C, Gerson R, James W |
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Journal of Physics and Chemistry of Solids 32 (1971) 1315-1320 |
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Ferroelectric BiFeO3 X-Ray and neutron diffraction study |
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_cod_database_code 1001090 |
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_database_code_amcsd 0013200 |
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5.5876 5.5876 13.867 90 90 120 R3c |
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atom x y z |
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Bi1 0 0 0 |
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Fe1 0 0 .2212 |
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O1 .443 .012 .9543 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Ba Bi Cu La O6 Pb |
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Pham A, Michel C, Hervieu M, Maignan A, Raveau B |
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Journal of Physics and Chemistry of Solids 54 (1993) 65-71 |
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Substitution of lead for bismuth in the 2201-type oxide |
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Bi2BaLaCuO6+d |
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_cod_database_code 1001550 |
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_database_code_amcsd 0013237 |
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5.4028 5.4745 24.515 90 90 90 Fmmm |
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atom x y z occ |
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Bi1 .033 0 .1897 .25 |
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Pb1 .033 0 .1897 .25 |
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Ba1 0 0 .4247 .5 |
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La1 0 0 .4247 .5 |
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Cu1 0 0 0 |
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O1 .25 .25 0 |
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O2 0 0 .0968 |
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O3 .094 .110 .3067 .25 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Ba Cu2 Nd O7 Sr Tl |
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Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
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Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
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Influence of the size of alkaline earth cations on the structural |
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distortion and transport properties of the semiconducting 1212 - type |
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cuprates TlBa2-xSrxLnCu2O7 |
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_cod_database_code 1001523 |
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_database_code_amcsd 0013238 |
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3.8798 3.8798 12.2573 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .081 0 0 .25 |
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Ba1 .5 .5 .2084 .5 |
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Sr1 .5 .5 .2084 .5 |
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Nd1 .5 .5 .5 |
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Cu1 0 0 .3609 |
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O1 0 .5 .376 |
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O2 0 0 .174 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Cu2 Nd O7 Sr2 Tl |
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Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
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Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
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Influence of the size of alkaline earth cations on the structural |
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distortion and transport properties of the semiconducting 1212 - type |
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cuprates TlBa2-xSrxLnCu2O7 |
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_cod_database_code 1001524 |
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_database_code_amcsd 0013239 |
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3.8503 3.8503 12.0724 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .069 0 0 .25 |
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Sr1 .5 .5 .2092 |
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Nd1 .5 .5 .5 |
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Cu1 0 0 .3581 |
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O1 0 .5 .366 |
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O2 0 0 .176 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
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Ba Cu2 O7 Sr Tl Y |
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Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
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Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
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distortion and transport properties of the semiconducting 1212 - type |
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cuprates TlBa2-xSrxLnCu2O7 |
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_cod_database_code 1001525 |
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_database_code_amcsd 0013240 |
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3.8421 3.8421 12.2064 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .085 0 0 .25 |
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Ba1 .5 .5 .2098 .5 |
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Sr1 .5 .5 .2098 .5 |
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Y1 .5 .5 .5 |
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Cu1 0 0 .3638 |
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O1 0 .5 .391 |
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O2 0 0 .179 |
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O3 .5 .5 0 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
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Cu2 O7 Sr2 Tl Y |
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Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
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Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
|
distortion and transport properties of the semiconducting 1212 - type |
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cuprates TlBa2-xSrxLnCu2O7 |
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_cod_database_code 1001526 |
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_database_code_amcsd 0013241 |
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3.8157 3.8157 11.9963 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .060 0 0 .25 |
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Sr1 .5 .5 .2101 |
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Y1 .5 .5 .5 |
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Cu1 0 0 .3638 |
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O1 0 .5 .378 |
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O2 0 0 .173 |
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O3 .5 .5 0 |
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|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
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Nb30 O90 Rb12 W3 |
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Michel C, Guyomarch A, Raveau B |
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Journal of Solid State Chemistry 22 (1977) 393-403 |
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Nouveaux echangeurs cationiques avec une structure a tunnels |
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entrecroises: les oxides A12M33O90 et A12M33O90(H2O)12 |
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_cod_database_code 1001017 |
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_database_code_amcsd 0013353 |
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7.486 7.486 43.10 90 90 120 R-3m |
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atom x y z occ |
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Rb1 0 0 .2659 |
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Rb2 0 0 .4538 |
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Nb1 .5 0 .5 .909 |
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W1 .5 0 .5 .091 |
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Nb2 0 0 .0998 .909 |
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W2 0 0 .0998 .091 |
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Nb3 .4994 -.4994 .3033 .909 |
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W3 .4994 -.4994 .3033 .091 |
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O1 .5234 -.5234 .3528 |
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O2 .5431 -.5431 .2645 |
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O3 .2162 -.2162 .3032 |
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O4 .2098 -.2098 .4923 |
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O5 .2120 -.2120 .7893 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
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O78 Rb10 Ta29.2 |
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Michel C, Guyomarch A, Raveau B |
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Journal of Solid State Chemistry 25 (1978) 251-261 |
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Nouveaux echangeurs cationiques avec une structure a tunnels |
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entrecroises: les niobates et tantalates A10M29.2O78 et |
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A10M29.2O78(H2O)10 |
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_cod_database_code 1001026 |
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_database_code_amcsd 0013363 |
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7.505 7.505 36.37 90 90 120 P6_3/mmc |
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atom x y z occ |
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Rb1 1/3 2/3 .9118 |
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Rb2 .290 .580 .1377 .3333 |
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Rb3 2/3 1/3 .75 |
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Ta1 .1666 1/3 .0350 |
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Ta2 0 0 .1158 |
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Ta3 .1658 .3316 .6953 |
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Ta4 0 0 .751 .15 |
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Ta5 1/3 2/3 .730 .15 |
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O1 .111 .222 .081 |
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O2 .872 .744 .147 |
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O3 .446 .892 .037 |
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O4 .868 .736 .026 |
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O5 .832 .664 .25 |
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O6 .461 .922 .684 |
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O7 .885 .770 .706 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Ba3 Cu6 La3 O14 |
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Er-Rakho L, Michel C, Provost J, Raveau B |
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Journal of Solid State Chemistry 37 (1981) 151-156 |
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A Series of Oxygen-Defect Perovskites Containing Cu(II) and Cu(III): |
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The Oxides La3-x Lnx Ba3 (Cu(II)5-2y Cu(III)1+2y) O14+y |
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_cod_database_code 1001172 |
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_database_code_amcsd 0013414 |
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5.5253 5.5253 11.721 90 90 90 P4/mmm |
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atom x y z occ |
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La1 0 .5 .1798 .5 |
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Ba1 0 .5 .1798 .5 |
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La2 0 .5 .5 .5 |
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Ba2 0 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 .5 .5 0 |
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Cu3 0 0 .348 |
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Cu4 .5 .5 .346 |
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O1 .25 .25 0 |
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O2 .25 .25 .358 |
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O3 .5 .5 .147 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
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Total number of retrieved datasets: Line 943: Update statistic set count=count + '218' where hostname='216.73.216.214'
Number of datasets in this page:100
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