|
In6WO12 |
|
Michel D, Kahn A |
 |
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 |
|
_database_code_amcsd 0009761 |
|
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) |
|
W1 0 0 0 .0034 .0034 .0034 .0008 .0008 .0008 |
|
In1 .1397 .3214 .6044 .0043 .0071 .0056 .0024 .0008 .0002 |
|
O1 -.0426 .0974 .2969 .0129 .0104 .0015 .0007 .0007 .0007 |
|
O2 .4057 .5838 .8219 .0079 .0044 .0034 .0009 .0009 .0004 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
O4 Sr Tl2 |
|
Michel C, Hervieu M, Caignaert V, Raveau B |
 |
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) |
  |
|
Ba2 Cu3 O6.04 Y |
|
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 1001431 |
|
_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) |
  |
|
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 |
  |
American Chemical Society: Symposium Series 351 (1987) 152-163 |
|
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) |
  |
|
Ba2 Cu3 Nd O6.85 |
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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 |
|
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) |
  |
|
Ba2 Cu3 O6.92 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 |
|
Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001435 |
|
_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 |
|
Structure-Property Relationships for RBa2Cu3Ox Phases |
|
_cod_database_code 1001436 |
|
_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) |
  |
|
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 |
|
_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 |
|
S15 .9215 -.08089 .58369 .0279 .0850 .0558 .0104 .0066 .0140 |
|
S16 .73375 -.11450 .57601 .0321 .0714 .0374 .0075 .0089 .0077 |
|
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 |
|
S20 .7728 .40414 .60485 .0352 .0922 .0403 .0054 .0027 .0194 |
|
S21 .7622 .30922 .57174 .0366 .0984 .0399 -.0066 .0000 .0013 |
|
S22 .9455 .27028 .58826 .0437 .0898 .0382 -.0007 .0091 -.0043 |
|
S23 .9640 .21964 .67978 .0660 .0588 .0507 -.0038 .0026 -.0034 |
|
S24 .0673 .27541 .75588 .0421 .0573 .0420 .0025 -.0049 .0095 |
|
S25 .9341 .31792 .80979 .0545 .0658 .0312 -.0064 .0079 .0104 |
|
S26 .8988 .41000 .77111 .0443 .0602 .0360 .0056 .0097 .0013 |
|
C1 -.0028 .0029 .0023 .01 |
|
C2 -.2208 -.0469 .1093 .276 |
|
C3 -.1575 .0110 .1469 .276 |
|
C4 .1737 .0602 -.1222 .276 |
|
C5 .1916 -.0119 -.1262 .276 |
|
C6 -.3174 -.0390 .0522 .276 |
|
C7 -.0363 -.0006 .1858 .551 |
|
C8 .0567 .0852 -.1563 .276 |
|
C9 .2842 -.0403 -.0759 .276 |
|
C10 -.345 -.0809 -.0071 .276 |
|
C11 .0517 .0534 .1988 .276 |
|
C12 .0035 .1445 -.1332 .276 |
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C13 .2767 -.1059 -.0511 .276 |
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C14 -.2820 -.1401 -.0043 .276 |
|
C15 .0145 .1156 .1776 .276 |
|
C16 .0708 .1811 -.0805 .276 |
|
C17 .1818 -.1455 -.0858 .276 |
|
C18 -.1897 -.1546 .0574 .276 |
|
C19 -.1104 .1307 .1380 .276 |
|
C20 .1959 .1584 -.0463 .276 |
|
C21 .0847 -.1216 -.1409 .276 |
|
C22 -.1497 -.1092 .1114 .276 |
|
C23 -.1953 .0771 .1208 .276 |
|
C24 .246 .0970 -.0635 .276 |
|
C25 .0868 -.0548 -.1596 .276 |
|
C26 -.0135 -.1098 .1489 .276 |
|
C27 -.2909 .0819 .0558 .276 |
|
C28 .3301 .0614 -.0066 .276 |
|
C29 -.0355 -.0188 -.1874 .276 |
|
C30 .0459 -.0547 .1837 .276 |
|
C31 -.3450 .0238 .0258 .276 |
|
C32 .3436 -.0058 -.0174 .276 |
|
C33 -.0551 .0494 -.1828 .276 |
|
C34 .1805 -.0367 .1866 .276 |
|
C35 -.3776 .0162 -.0482 .276 |
|
C36 .360 -.0490 .0408 .276 |
|
C37 -.1752 .0787 -.1701 .276 |
|
C38 .2647 -.0656 .1450 .276 |
|
C39 -.3374 .0642 -.0918 .276 |
|
C40 .3432 -.0234 .1060 .276 |
|
C41 -.2779 .0410 -.1511 .276 |
|
C42 .2050 -.1270 .1232 .276 |
|
C43 -.296 .1252 -.0609 .276 |
|
C44 .3354 .0448 .1194 .276 |
|
C45 -.2592 -.0258 -.1677 .276 |
|
C46 .2471 -.1513 .0615 .276 |
|
C47 -.2030 .1634 -.0899 .276 |
|
C48 .2602 .0733 .1671 .276 |
|
C49 -.319 -.0731 -.1285 .276 |
|
C50 .0757 -.1519 .1253 .276 |
|
C51 -.2799 .1351 .0129 .276 |
|
C52 .3435 .0860 .0606 .276 |
|
C53 -.1471 -.0569 -.1883 .276 |
|
C54 .1469 -.1938 .0251 .276 |
|
C55 -.1293 .2021 -.0349 .276 |
|
C56 .2254 .1383 .1407 .276 |
|
C57 -.2479 -.1344 -.1248 .276 |
|
C58 .0431 -.1935 .0659 .276 |
|
C59 -.1808 .1842 .0267 .276 |
|
C60 .2794 .1444 .0776 .276 |
|
C61 -.1430 -.1233 -.1634 .276 |
|
C62 -.0864 -.1959 .0397 .276 |
|
C63 -.1004 .1827 .0890 .276 |
|
C64 .2092 .1797 .0252 .276 |
|
C65 -.0337 -.1574 -.1357 .276 |
|
C66 .1197 -.1922 -.0460 .276 |
|
C67 .0019 .2122 -.0304 .276 |
|
C68 .1047 .1589 .1508 .276 |
|
C69 -.2348 -.1682 -.0636 .276 |
|
C70 -.1173 -.2015 -.0348 .276 |
|
C71 .0365 .1979 .0961 .276 |
|
C72 .0880 .2102 .0344 .276 |
|
C73 -.0156 -.1982 -.0746 .276 |
|
C74 .3155 -.1128 .0221 .276 |
|
C75 -.1353 .1401 -.1402 .276 |
|
C76 .1820 .0317 .1973 .276 |
|
C77 -.3719 -.0488 -.0728 .276 |
|
C78 -.0018 -.0047 .0012 .01 |
|
C79 -.2747 -.0345 .0780 .224 |
|
C80 -.2658 .0384 .0796 .224 |
|
C81 .2467 .0153 -.0964 .224 |
|
C82 .2926 -.0421 -.0523 .224 |
|
C83 -.3277 -.0628 .0149 .224 |
|
C84 -.1782 .0666 .1321 .224 |
|
C85 .1511 .0107 -.1548 .224 |
|
C86 .3504 -.0246 .0142 .224 |
|
C87 -.2926 -.1283 -.0004 .224 |
|
C88 -.1191 .1288 .1233 .224 |
|
C89 .0478 .0532 -.1847 .224 |
|
C90 .3467 -.0725 .0676 .224 |
|
C91 -.2111 -.1643 .0472 .224 |
|
C92 -.1536 .1664 .0654 .224 |
|
C93 .0637 .1155 -.1585 .224 |
|
C94 .2984 -.1344 .0543 .224 |
|
C95 -.1566 -.1380 .1138 .224 |
|
C96 -.2525 .1412 .0121 .224 |
|
C97 .1659 .1315 -.1021 .224 |
|
C98 .2427 -.1521 -.0156 .224 |
|
C99 -.1834 -.0720 .1286 .224 |
|
C100 -.3043 .0774 .0161 .224 |
|
C101 .2514 .0825 -.0690 .224 |
|
C102 .2300 -.1058 -.0705 .224 |
|
C103 -.0773 -.0394 .1768 .224 |
|
C104 -.3486 .0362 -.0464 .224 |
|
C105 .3018 .0899 .0067 .224 |
|
C106 .1215 -.1072 -.1303 .224 |
|
C107 -.0854 .0291 .1746 .224 |
|
C108 -.3526 -.0328 -.0508 .224 |
|
C109 .3464 .0356 .0486 .224 |
|
C110 .0885 -.0498 -.1685 .224 |
|
C111 .0269 .0711 .1859 .224 |
|
C112 -.3188 -.0766 -.1032 .224 |
|
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 |
|
C120 -.2798 .0190 -.1610 .224 |
|
C121 .2203 .1306 .1073 .224 |
|
C122 -.1043 -.1430 -.1401 .224 |
|
C123 .2537 -.0661 .1737 .224 |
|
C124 -.1867 .0551 -.1921 .224 |
|
C125 .1018 .1630 .1153 .224 |
|
C126 -.1769 -.1714 -.0912 .224 |
|
C127 .0454 -.0662 .1972 .224 |
|
C128 -.3282 .0604 -.1109 .224 |
|
C129 .2501 .1425 .0390 .224 |
|
C130 .0326 -.1568 -.1229 .224 |
|
C131 .2019 -.1312 .1588 .224 |
|
C132 -.1805 .1212 -.1639 .224 |
|
C133 .0556 .1993 .0524 .224 |
|
C134 -.0870 -.2083 -.0415 .224 |
|
C135 .0714 -.1307 .1740 .224 |
|
C136 -.2694 .1237 -.1143 .224 |
|
C137 .1499 .1862 .0077 .224 |
|
C138 .0366 -.1994 -.0641 .224 |
|
C139 -.0281 -.1649 .1359 .224 |
|
C140 -.2343 .1623 -.0569 .224 |
|
C141 .1111 .1816 -.0626 .224 |
|
C142 .1384 -.1976 -.0110 .224 |
|
C143 .2223 -.1655 .1010 .224 |
|
C144 -.0584 .1484 -.1556 .224 |
|
C145 -.0728 .2017 .0238 .224 |
|
C146 -.1145 -.2069 .0252 .224 |
|
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 |
|
|
| 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 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 |
|
phases MM'As (M=Ru, Rh, Pd; M' = element des transition 3d) |
|
_cod_database_code 1008979 |
|
_database_code_amcsd 0016842 |
|
6.510 6.51 3.685 90 90 120 P-62m |
|
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 |
|
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 |
 |
Morgenstern-Badarau I, Michel A |
  |
Journal of Inorganic and Nuclear Chemistry 38 (1976) 1400-1402 |
|
Sur l'existence d'un oxyhydroxyde double de fer(III) et d'etain(IV) |
|
Locality: synthetic |
|
_database_code_amcsd 0013052 |
|
7.757 7.757 7.757 90 90 90 *Pn3 |
|
.25 .25 .25 |
|
atom x y z Biso |
|
Sn .5 .5 .5 .95 |
|
Fe 0 0 0 1.1 |
|
O -.068 .068 .251 .84 |
|
|
| 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 Fe O6 Pb2 Sr2 |
|
Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B |
  |
Journal of Materials Chemistry 5 (1995) 1163-1170 |
|
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 |
|
_cod_database_code 1001710 |
|
_database_code_amcsd 0013075 |
|
5.4604 5.5227 12.2112 90 90 90 Cmmm |
|
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 |
|
Fe1 .5 0 .5 |
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O1 .096 .079 .147 .25 |
|
O2 0 .5 .332 |
|
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 |
  |
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 |
|
_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 |
  |
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 |
|
_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 |
|
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 |
|
O2 .25 .75 .333 |
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O3 0 0 .5 |
|
O4 .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) |
  |
|
BiFeO3 |
|
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 |
|
atom x y z occ |
|
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 |
|
O3 .094 .110 .3067 .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 Cu2 Nd O7 Sr Tl |
|
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
  |
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 |
|
O1 0 .5 .376 |
|
O2 0 0 .174 |
|
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) |
  |
|
Cu2 Nd O7 Sr2 Tl |
|
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
  |
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 |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_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 |
|
atom x y z occ |
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Tl1 .069 0 0 .25 |
|
Sr1 .5 .5 .2092 |
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Nd1 .5 .5 .5 |
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Cu1 0 0 .3581 |
|
O1 0 .5 .366 |
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O2 0 0 .176 |
|
O3 .5 .5 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) |
  |
|
Ba Cu2 O7 Sr Tl Y |
|
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
  |
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 |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001525 |
|
_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 |
|
Y1 .5 .5 .5 |
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Cu1 0 0 .3638 |
|
O1 0 .5 .391 |
|
O2 0 0 .179 |
|
O3 .5 .5 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) |
  |
|
Cu2 O7 Sr2 Tl Y |
|
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
  |
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 |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001526 |
|
_database_code_amcsd 0013241 |
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3.8157 3.8157 11.9963 90 90 90 P4/mmm |
|
atom x y z occ |
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Tl1 .060 0 0 .25 |
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Sr1 .5 .5 .2101 |
|
Y1 .5 .5 .5 |
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Cu1 0 0 .3638 |
|
O1 0 .5 .378 |
|
O2 0 0 .173 |
|
O3 .5 .5 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) |
  |
|
Nb30 O90 Rb12 W3 |
|
Michel C, Guyomarch A, Raveau B |
  |
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 |
|
_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 |
|
atom x y z occ |
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Rb1 0 0 .2659 |
|
Rb2 0 0 .4538 |
|
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 |
|
O2 .5431 -.5431 .2645 |
|
O3 .2162 -.2162 .3032 |
|
O4 .2098 -.2098 .4923 |
|
O5 .2120 -.2120 .7893 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
  |
|
O78 Rb10 Ta29.2 |
|
Michel C, Guyomarch A, Raveau B |
  |
Journal of Solid State Chemistry 25 (1978) 251-261 |
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Nouveaux echangeurs cationiques avec une structure a tunnels |
|
entrecroises: les niobates et tantalates A10M29.2O78 et |
|
A10M29.2O78(H2O)10 |
|
_cod_database_code 1001026 |
|
_database_code_amcsd 0013363 |
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7.505 7.505 36.37 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
Rb1 1/3 2/3 .9118 |
|
Rb2 .290 .580 .1377 .3333 |
|
Rb3 2/3 1/3 .75 |
|
Ta1 .1666 1/3 .0350 |
|
Ta2 0 0 .1158 |
|
Ta3 .1658 .3316 .6953 |
|
Ta4 0 0 .751 .15 |
|
Ta5 1/3 2/3 .730 .15 |
|
O1 .111 .222 .081 |
|
O2 .872 .744 .147 |
|
O3 .446 .892 .037 |
|
O4 .868 .736 .026 |
|
O5 .832 .664 .25 |
|
O6 .461 .922 .684 |
|
O7 .885 .770 .706 |
|
|
| 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 |
|
Er-Rakho L, Michel C, Provost J, Raveau B |
  |
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 |
|
_cod_database_code 1001172 |
|
_database_code_amcsd 0013414 |
|
5.5253 5.5253 11.721 90 90 90 P4/mmm |
|
atom x y z occ |
|
La1 0 .5 .1798 .5 |
|
Ba1 0 .5 .1798 .5 |
|
La2 0 .5 .5 .5 |
|
Ba2 0 .5 .5 .5 |
|
Cu1 0 0 0 |
|
Cu2 .5 .5 0 |
|
Cu3 0 0 .348 |
|
Cu4 .5 .5 .346 |
|
O1 .25 .25 0 |
|
O2 .25 .25 .358 |
|
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) |
  |
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