The total number to display on this page is 27 27 matching records for this search.
the file_query is Select fileno, contents, cifcontents, journalKey, Mineral from Amc_Table where fileno in ('12003.amc', '12005.amc', '12011.amc', '14657.amc', '14658.amc', '14877.amc', '15254.amc', '15259.amc', '17129.amc', '17171.amc', '17211.amc', '17233.amc', '17236.amc', '17250.amc', '17254.amc', '17270.amc', '17311.amc', '17328.amc', '17359.amc', '17374.amc', '17375.amc', '17384.amc', '17395.amc', '18157.amc', '18162.amc', '19507.amc', '20761.amc') order by fileno
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K4 Nb8 O34 P4 Si |
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Leclaire A, Borel M, Chardon J, Grandin A, Raveau B |
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Acta Crystallographica C48 (1992) 1744-1747 |
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A niobium silicophosphate belonging to the niobium phosphate |
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bronzeseries: K4Nb8P4SiO34 |
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_cod_database_code 1001541 |
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_database_code_amcsd 0010275 |
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10.6050 10.6050 6.4099 90 90 90 P-4m2 |
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atom x y z |
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Nb1 .5 .1847 .2035 |
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Nb2 .17750 .17750 0 |
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Si1 .5 .5 0 |
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P1 .2397 .2397 .5 |
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K1 0 0 .5 |
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K2 0 .5 .2923 |
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K3 .5 .5 .5 |
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O1 .5 0 .261 |
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O2 .3638 .1747 .0215 |
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O3 .3790 .2154 .4530 |
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O4 .5 .3819 .145 |
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O5 .1756 0 .032 |
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O6 .1586 .1982 .3115 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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O10 P2 Pb V2 |
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Grandin A, Chardon J, Borel M, Leclaire A, Raveau B |
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Acta Crystallographica C48 (1992) 1913-1915 |
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Structure of PbV2P2O10 |
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_cod_database_code 1001534 |
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_database_code_amcsd 0010277 |
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5.2306 8.5805 16.790 90 91.01 90 P2_1/c |
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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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Pb1 .06382 .19558 .18163 .00717 .00318 .00082 -.0013 .00057 -.00071 |
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V1 .1397 .8454 .06649 .0028 .0027 .00028 .0009 -.0002 -.0004 |
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V2 .4587 .0373 .34912 .0044 .0017 .00026 -.0001 .0000 .0000 |
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P1 .3617 .2756 .0196 .0034 .0022 .00017 -.0008 .0001 -.0002 |
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P2 .3721 .4171 .3217 .0024 .0013 .00021 .0001 -.0002 -.0001 |
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O1 .173 .6798 .1102 .005 .0037 .0009 -.005 .0000 .0007 |
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O2 -.118 .8289 -.0232 .003 .0049 .0003 -.004 -.0002 .0004 |
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O3 -.144 .9498 .1260 .005 .0036 .0008 .002 .0010 -.0014 |
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O4 .399 .8235 -.0135 .006 .0039 .0007 .003 .0009 .0002 |
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O5 .372 .9689 .1392 .005 .0026 .0008 -.002 -.0009 .0002 |
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O6 .212 -.0518 .3143 .006 .0037 .0013 -.004 -.001 -.0013 |
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O7 .381 .2442 .2998 .009 .0023 .0003 .001 -.0017 -.0001 |
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O8 .680 .0117 .2544 .005 .0036 .0003 -.002 -.0008 -.0014 |
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O9 .640 -.1430 .3978 .009 .0032 .0003 .007 .0016 -.0002 |
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O10 .339 .1071 .4520 .009 .0030 .0005 -.003 .0004 -.0015 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Ca0.75 K6.5 Nb14 O47 Si4 |
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Borel M, Chardon J, Grandin A, Leclaire A, Raveau B |
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Acta Crystallographica C49 (1993) 570-571 |
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Structure of a new siliconiobate K6.5 Ca0.75 Nb14 Si4 O47 |
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_cod_database_code 1001861 |
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_database_code_amcsd 0010283 |
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9.046 9.046 27.883 90 90 120 P6_3/mcm |
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atom x y z occ |
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Nb1 .24520 0 .04437 |
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Nb2 .23777 0 .18222 |
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Nb3 1/3 2/3 0 |
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Si1 1/3 2/3 .19176 |
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K1 .5924 0 .10739 |
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K2 .6018 0 .25 .1667 |
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Ca1 .6018 0 .25 .25 |
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O1 .2172 0 .1106 |
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O2 .2752 0 .25 |
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O3 .1973 0 .5328 |
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O4 .1744 0 .6862 |
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O5 1/3 2/3 .25 |
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O6 .1817 .4856 .1731 |
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O7 .1684 .4815 .4584 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Ca0.81 Cu2 O7 Sr2 Tl1.19 |
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Martin C, Maignan A, Labbe P, Chardon J, Hejtmanek J, Raveau B |
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Chemistry of Materials 7 (1995) 1414-1418 |
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Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d |
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_cod_database_code 1001666 |
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_database_code_amcsd 0012204 |
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3.7966 3.7966 12.092 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .0793 0 0 .25 |
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Ca1 .5 .5 .5 .81 |
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Tl2 .5 .5 .5 .19 |
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Sr1 .5 .5 .2165 |
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Cu1 0 0 .3642 |
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O1 0 .5 .3714 |
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O2 0 0 .166 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Ca0.81 Cu2 O7 Sr2 Tl1.19 |
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Martin C, Maignan A, Labbe P, Chardon J, Hejtmanek J, Raveau B |
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Chemistry of Materials 7 (1995) 1414-1418 |
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Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d |
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_cod_database_code 1001667 |
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_database_code_amcsd 0012205 |
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3.7808 3.7808 12.0855 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .0701 0 0 .25 |
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Ca1 .5 .5 .5 .81 |
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Tl2 .5 .5 .5 .19 |
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Sr1 .5 .5 .2130 |
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Cu1 0 0 .3622 |
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O1 0 .5 .3709 |
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O2 0 0 .1667 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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K2 O9 P2 W |
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Borel M, Leclaire A, Chardon J, Michel C, Raveau B |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 324 (1997) 189-195 |
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New molybdeno- and tungstodiphosphates with the (NH4)2MoO2P2O7 chain-like structure |
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_cod_database_code 1001766 |
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_database_code_amcsd 0012320 |
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13.766 8.002 15.497 90 98.34 90 C2/c |
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atom x y z |
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W1 .11472 .14487 .13527 |
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P1 .1283 .0821 .3443 |
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P2 -.0367 .5596 .5768 |
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K1 .3543 .1619 .2613 |
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K2 .1436 .5817 -.0216 |
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O1 .1468 .331 .1866 |
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O2 .2255 .075 .1120 |
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O3 .0711 .25 .0195 |
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O4 .1220 .019 .2491 |
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O5 -.0367 .181 .1449 |
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O6 .0525 -.088 .0821 |
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O7 .1257 -.090 .3965 |
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O8 .2226 .167 .3780 |
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O9 -.0259 .352 .6296 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Cd O10 P2 V2 |
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Leclaire A, Grandin A, Chardon J, Borel M, Raveau B |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 393-400 |
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A new vanadium(IV) monophosphate Cd(VO)2(PO4)2 |
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_cod_database_code 1001519 |
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_database_code_amcsd 0012570 |
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5.187 7.959 17.187 90 92.74 90 P2_1/c |
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atom x y z |
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Cd1 .10544 .21886 .18185 |
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V1 .15619 .87532 .06829 |
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V2 .45198 .03234 .35163 |
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P1 .3604 .2676 .01572 |
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P2 .3340 .43697 .31472 |
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O1 .1933 .6957 .1096 |
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O2 .8641 .8627 -.0126 |
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O3 -.0954 .9900 .1410 |
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O4 .3828 .8229 -.0155 |
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O5 .4144 .9896 .1422 |
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O6 .2258 -.0920 .3180 |
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O7 .3199 .2444 .2995 |
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O8 .6956 .0197 .2652 |
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O9 .6691 .8566 .4044 |
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O10 .3248 .1065 .4500 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Cd O10 P2 V2 |
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Leclaire A, Chardon J, Grandin A, Borel M, Raveau B |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 461-469 |
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A novel form of Cd(VO)2(PO4)2 isotypic with Ca(VO)2(PO4)2 |
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_cod_database_code 1001520 |
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_database_code_amcsd 0012575 |
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11.571 15.880 7.138 90 90 90 Fdd2 |
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atom x y z |
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Cd1 0 0 0 |
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V1 .10985 .11812 .6034 |
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P1 .2508 .04192 .2444 |
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O1 .2513 .1701 .7425 |
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O2 .1052 .2331 .4720 |
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O3 .2360 .0981 .4171 |
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O4 .1406 .0144 .7676 |
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O5 .0133 .1493 .8271 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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K2 Na1.73 Nb8 O34 P5 |
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Benabbas A, Borel M, Grandin A, Chardon J, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 91 (1991) 323-330 |
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The niobium phosphate bronze beta-K2Na2-xNb8P5O34, second |
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form of the first member of the series (K3Nb6P4O26)nKNb2PO8 |
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_cod_database_code 1001478 |
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_database_code_amcsd 0013709 |
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10.612 10.612 6.384 90 90 90 P-4m2 |
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atom x y z occ |
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Nb1 .5 .18295 .20093 |
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Nb2 .17682 .17682 0 |
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P1 .5 .5 0 |
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P2 .24040 .24040 .5 |
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O1 .5 0 .256 |
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O2 .3649 .1753 .0200 |
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O3 .3793 .2155 .4548 |
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O4 .5 .3841 .151 |
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O5 .1776 0 .0340 |
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O6 .1592 .1978 .3114 |
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Na1 .5 .5 .5 .73 |
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K1 0 0 .5 |
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K2 0 .5 .2965 .5 |
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Na2 0 .5 .2965 .5 |
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| Download AMC data (View Text File)
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Ba O10 P2 V2 |
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Grandin A, Chardon J, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 99 (1992) 297-302 |
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BaV2P2O10, a new tetravalent vanadium phosphate with a tunnel |
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structure |
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_cod_database_code 1001542 |
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_database_code_amcsd 0013739 |
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5.2204 9.1702 16.3247 90 92.757 90 P2_1/c |
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atom x y z |
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Ba1 .00266 .20027 .18004 |
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V1 .11936 .81937 .06397 |
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V2 .45604 .04678 .34292 |
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P1 .3913 .29316 .02522 |
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P2 .3826 .40559 .32798 |
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O1 .1600 .6711 .1149 |
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O2 .8462 .8087 -.0244 |
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O3 .8591 .9291 .1232 |
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O4 .3531 .7907 -.0267 |
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O5 .3701 .9440 .1233 |
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O6 .1927 -.0234 .3055 |
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O7 .3921 .2488 .2952 |
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O8 .6551 .0132 .2440 |
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O9 .6229 .8728 .3918 |
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O10 .3646 .1072 .4514 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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AgV2P2O10 |
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Grandin A, Chardon J, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 104 (1993) 226-231 |
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A mixed valent vanadium phosphate closely related to BaV2P2O10: AgV2P2O10 |
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_cod_database_code 1001566 |
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_database_code_amcsd 0013778 |
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5.256 8.117 16.966 90 91.46 90 P2_1/c |
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atom x y z |
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Ag1 .07526 .20627 .18857 |
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V1 .14413 .86962 .06988 |
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V2 .46419 .03216 .35275 |
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P1 .3664 .26446 .01677 |
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P2 .3564 .42347 .31759 |
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O1 .1727 .6911 .1095 |
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O2 .8632 .8546 -.0134 |
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O3 .8820 .9710 .1386 |
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O4 .3837 .8271 -.0141 |
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O5 .3988 .9799 .1413 |
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O6 .2285 -.0757 .3237 |
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O7 .3582 .2360 .3028 |
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O8 .6749 .0052 .2649 |
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O9 .6566 .8633 .4057 |
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O10 .3416 .1103 .4478 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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O17 P4 Pb2 V3 |
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Leclaire A, Chardon J, Grandin A, Borel M, Raveau B |
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Journal of Solid State Chemistry 108 (1994) 291-298 |
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The monophosphate Pb2V2VO(PO4)4: a tunnel structure with the |
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mixed valence V(III)-V(IV) |
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_cod_database_code 1001616 |
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_database_code_amcsd 0013794 |
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17.74699 18.05099 9.344 90 117.03 90 C2/c |
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atom x y z |
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Pb1 .11296 .12510 .01898 |
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Pb2 .22976 .47431 .46871 |
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V1 .4472 .2102 .4457 |
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V2 .2469 .3097 .2474 |
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V3 0 .0612 .25 |
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V4 .5 .0559 .25 |
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P1 .1385 .1989 .3627 |
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P2 .3879 .4437 .3419 |
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P3 .3324 .1657 .1492 |
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P4 .0830 .4212 .1295 |
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O1 .5041 .2729 .422 |
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O2 .3285 .2246 .270 |
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O3 .4131 .2441 .601 |
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O4 .4256 .1401 .261 |
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O5 .5147 .1365 .597 |
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O6 .1738 .3924 .240 |
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O7 .2899 .3316 .482 |
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O8 .1727 .2303 .251 |
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O9 .1804 .2975 .003 |
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O10 .3384 .3750 .251 |
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O11 .0364 .0732 .495 |
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O12 .0809 -.0204 .272 |
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O13 .0882 .1325 .265 |
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O14 .5776 -.0138 .234 |
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O15 .4185 .0499 .023 |
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O16 .3290 .4991 .367 |
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O17 .2708 .1026 .123 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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K0.58 O7 P2 Ti |
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Leclaire A, Chardon, Borel M, Raveau B |
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Journal of Solid State Chemistry 109 (1994) 83-87 |
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A mixed valent titanium diphosphate with an intersecting tunnel |
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structure K0.58TiP2O7 |
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_cod_database_code 1001621 |
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_database_code_amcsd 0013797 |
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17.85199 6.298 12.181 90 119.73 90 C2/c |
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atom x y z occ |
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Ti1 .36879 .1029 .2804 |
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P1 .4133 .1114 .0463 |
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P2 .1534 .1155 .1686 |
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K1 .2701 .331 .5091 .5 |
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K2 0 .11 .25 .08 |
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O1 .2443 .112 .1881 |
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O2 .3593 -.210 .2553 |
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O3 .3648 .141 .1177 |
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O4 .4931 .068 .3683 |
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O5 .3775 .408 .3101 |
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O6 .3688 .056 .4442 |
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O7 .0923 .167 .0220 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Rb3Nb5P2O19 |
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Leclaire A, Borel M, Chardon J, Raveau B |
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Journal of Solid State Chemistry 111 (1994) 26-32 |
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A phosphoniobate with an intersecting tunnel structure related to |
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pyrochlore: Rb3Nb5P2O19 |
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_cod_database_code 1001623 |
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_database_code_amcsd 0013809 |
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12.989 12.989 53.91199 90 90 120 R-3c |
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atom x y z |
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Nb1 0 0 0 |
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Nb2 0 0 .15913 |
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Nb3 .16987 .14913 .05416 |
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Nb4 .01723 .16947 .21506 |
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Rb1 .6723 0 .25 |
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Rb2 .6529 .0031 .32112 |
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P1 .2187 .2165 .11778 |
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O1 .1263 .1223 .02055 |
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O2 .1189 .1319 .13426 |
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O3 .0063 .1255 .17797 |
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O4 .1744 .2056 .40892 |
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O5 .1230 -.0095 .06028 |
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O6 .3314 .1957 .04485 |
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O7 .2189 .3299 .04840 |
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O8 .1325 .1256 .21878 |
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O9 0 .1901 .25 |
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O10 -.1041 .2272 .20524 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Mo O9 P3 |
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Watson I, Borel M, Chardon J, Leclaire A |
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Journal of Solid State Chemistry 111 (1994) 253-256 |
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Structure of the trivalent molybdenum metaphosphate Mo(PO3)3 |
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_cod_database_code 1001602 |
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_database_code_amcsd 0013813 |
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10.819 19.515 9.609 90 97.74 90 Ia |
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atom x y z |
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Mo1 0 .17096 0 |
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Mo2 .50301 .16133 .00075 |
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Mo3 .48049 .99422 .51493 |
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P1 .13457 .11402 .32050 |
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P2 .34401 .11293 .69318 |
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P3 .13263 .05395 .82716 |
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P4 .72401 .10814 .5176 |
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P5 .34834 .05238 .19737 |
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P6 .64779 .22342 .31077 |
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P7 .85918 .21809 .6848 |
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P8 .26594 .22652 .4909 |
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P9 .75198 .06020 -.0035 |
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O1 .8906 .2532 .0504 |
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O2 -.0341 .1943 .7884 |
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O3 .8379 .1130 -.0451 |
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O4 .1043 .0851 -.0401 |
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O5 .1528 .2380 .0247 |
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O6 .0362 .1427 .2132 |
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O7 .5501 .2149 .1877 |
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O8 .3670 .2328 -.0583 |
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O9 .6321 .2191 -.0925 |
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O10 .6346 .0826 .0476 |
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O11 .3702 .1083 .0999 |
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O12 .4491 .1138 .8090 |
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O13 .6278 .0623 .5629 |
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O14 .4462 .0395 .3182 |
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O15 .5224 -.0364 .7248 |
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O16 .5926 -.0818 .4456 |
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O17 .3520 .0619 .5803 |
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O18 .3382 -.0782 .4736 |
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O19 .2163 .0604 .2492 |
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O20 .2354 .1710 .3725 |
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O21 .3251 .1866 .6279 |
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O22 .2165 .1048 .7544 |
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O23 .2226 -.0102 .8662 |
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O24 .6582 .1538 .3944 |
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O25 .7585 .1599 .6473 |
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O26 .3303 -.0174 .1161 |
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O27 .7810 .2728 .7586 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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BaMo4O8(PO4)2 |
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Borel M, Chardon J, Leclaire A, Grandin A, Raveau B |
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Journal of Solid State Chemistry 112 (1994) 317-321 |
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A molybdenum(V) monophosphate with a layer structure, BaMo4O8(PO4)2 |
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_cod_database_code 1001611 |
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_database_code_amcsd 0013829 |
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7.475 7.475 11.156 90 90 90 I-42m |
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atom x y z |
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Ba1 0 0 0 |
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Mo1 .87680 .87680 .62921 |
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P1 .5 0 .5 |
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O1 .8704 .1296 .5872 |
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O2 .6127 .8742 .5783 |
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O3 .8591 .8591 .7793 |
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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 Mo O8 P2 |
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Leclaire A, Borel M, Chardon J, Raveau B |
| |
Journal of Solid State Chemistry 116 (1995) 364-368 |
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A Mo(IV) monophosphate, Ba Mo (P O4)2, with the yavapaiite layer |
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structure |
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_cod_database_code 1001653 |
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_database_code_amcsd 0013865 |
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8.211 5.2757 7.816 90 94.778 90 C2/m |
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atom x y z |
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Ba1 0 0 0 |
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Mo1 0 0 .5 |
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P1 .1294 .5 .2899 |
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O1 .0242 .2610 .3123 |
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O2 .2652 .5 .4392 |
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O3 .1862 .5 .1122 |
|
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| Download AMC data (View Text File)
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| |
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Mo1.17 Na0.75 O11 P2 W0.83 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Journal of Solid State Chemistry 120 (1995) 353-357 |
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A mixed-valent molybdenotungsten monophosphate with a tunnel structure: |
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Nax(Mo,W)2O3(PO4)2 |
|
_cod_database_code 1001715 |
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_database_code_amcsd 0013880 |
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7.200 6.369 9.123 90 106.29 90 P2_1/m |
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atom x y z occ |
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W1 .1099 .25 .20000 .58 |
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Mo1 .1099 .25 .20000 .42 |
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W2 .3115 .25 .6345 .25 |
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Mo2 .3115 .25 .6345 .75 |
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P1 .4117 .75 .6106 |
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P2 .0167 .75 .1738 |
|
Na1 .481 .594 .959 .1875 |
|
Na2 .391 .496 .018 .1875 |
|
O1 .864 .25 .128 |
|
O2 .132 .25 .394 |
|
O3 .149 .556 .184 |
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O4 .144 .25 -.026 |
|
O5 .419 .25 .247 |
|
O6 .454 .25 .816 |
|
O7 .067 .25 .690 |
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O8 .283 .557 .607 |
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O9 .523 .25 .535 |
|
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| Download AMC data (View Text File)
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| |
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K6.6Mo2.36W3.64O15(PO4)4 |
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Leclaire A, Borel M, Chardon J, Raveau B |
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Journal of Solid State Chemistry 127 (1996) 1-8 |
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A molybdenotungsten monophosphate with an opened structure |
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K6.6Mo2.36W3.64O15(PO4)4 |
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_cod_database_code 1001733 |
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_database_code_amcsd 0013902 |
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17.545 17.545 15.714 90 90 120 R-3 |
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atom x y z occ |
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W1 .46896 .17281 .00563 .74 |
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Mo1 .46896 .17281 .00563 .26 |
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W2 .2270 .2765 .1310 .48 |
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Mo2 .2270 .2765 .1310 .52 |
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P1 .1504 .4154 .1559 |
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P2 2/3 1/3 .0522 |
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K1 0 0 0 .19 |
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K2 0 0 .5 |
|
K3 .4633 .3873 .0230 |
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K4 .166 .032 .098 .44 |
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K5 .214 .048 .095 .56 |
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O1 .452 .239 .077 |
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O2 .600 .247 .013 |
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O3 .470 .092 .082 |
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O4 .354 .094 -.029 |
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O5 .479 .256 -.094 |
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O6 .513 .112 -.083 |
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O7 .143 .183 .083 |
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O8 .310 .256 .126 |
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O9 .314 .397 .198 |
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O10 .134 .320 .147 |
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O11 2/3 1/3 .147 |
|
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| Download AMC data (View Text File)
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| |
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Mo1.04 O11 P2 W0.96 |
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Leclaire A, Borel M, Chardon J, Raveau B |
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Journal of Solid State Chemistry 128 (1997) 191-196 |
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The molybdenotungsten monophosphate Mo W O3 (P O4)2: an original three- |
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dimensional framework built up of "M P O8" chains (M = Mo, W) |
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_cod_database_code 1001804 |
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_database_code_amcsd 0013915 |
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7.827 12.538 7.833 90 92.36 90 P2_1/m |
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atom x y z occ |
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W1 .14929 .49729 .69218 .55 |
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Mo1 .14929 .49729 .69218 .45 |
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W2 .3591 .25 .2021 .47 |
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Mo2 .3591 .25 .2021 .53 |
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W3 .3608 .75 .1898 .35 |
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Mo3 .3608 .75 .1898 .65 |
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P1 .2526 .4946 .1173 |
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P2 .2494 .75 .6037 |
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P3 .0741 .25 .8468 |
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O1 .3309 .4761 .5881 |
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O2 0 .5 .5 |
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O3 .1694 .6534 .6903 |
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O4 .2622 .5050 .9228 |
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O5 .1016 .3473 .7355 |
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O6 -.0767 .5311 .8295 |
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O7 .2080 .25 -.005 |
|
O8 .3761 .4034 .1754 |
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O9 .204 .25 .346 |
|
O10 .5662 .25 .017 |
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O11 .555 .25 .356 |
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O12 .1011 .75 .077 |
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O13 .3254 .5949 .2039 |
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O14 .220 .75 .413 |
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O15 .548 .75 .308 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Li Mo0.68 O11 P2 W1.32 |
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Leclaire A, Borel M, Chardon J, Raveau B |
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Journal of Solid State Chemistry 128 (1997) 215-219 |
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A mixed valent molybdenotungsten monophosphate with an original |
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intersecting tunnel structure: Li (Mo, W)2 O3 (P O4)2 |
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_cod_database_code 1001805 |
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_database_code_amcsd 0013916 |
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8.142 6.361 7.728 90 102.45 90 C2/m |
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atom x y z occ |
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Mo1 .15211 0 .21944 .34 |
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W1 .15211 0 .21944 .66 |
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P1 .2465 .5 .3305 |
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Li1 0 .5 0 |
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O1 .3271 0 .1338 |
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O2 0 0 0 |
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O3 .2667 0 .4754 |
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O4 .1460 .3118 .2343 |
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O5 -.0745 0 .3130 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Mo1.983 O17 P3 Rb2 W1.017 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
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Journal of Solid State Chemistry 130 (1997) 48-53 |
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Mixed valent molybdenotungsten monophosphate Rb2 Mo2 W O5 (P O4)3: an |
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interconnected tunnel structure |
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_cod_database_code 1001809 |
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_database_code_amcsd 0013922 |
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10.756 9.493 15.478 90 108.99 90 P2_1/n |
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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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W1 .31228 .1226 .06091 .572 .0089 .0074 .0044 .0006 .0025 -.0007 |
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Mo1 .31228 .1226 .06091 .428 .0089 .0074 .0044 .0006 .0025 -.0007 |
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W2 .4765 .2544 .40162 .328 .0140 .0093 .0049 -.0021 .0056 -.0016 |
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Mo2 .4765 .2544 .40162 .672 .0140 .0093 .0049 -.0021 .0056 -.0016 |
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W3 .8019 .1197 .25667 .117 .0113 .0079 .0048 -.0001 .0037 -.0017 |
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Mo3 .8019 .1197 .25667 .883 .0113 .0079 .0048 -.0001 .0037 -.0017 |
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Rb1 .1032 .3691 .2107 .034 .029 .0170 -.003 .0052 .0008 |
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Rb2 .208 .097 .4927 .25 |
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Rb3 .1635 .1363 .4937 .75 |
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P1 .0779 .5976 .6219 .013 .005 .005 .000 .003 -.001 |
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P2 .4021 .4034 .5699 .016 .010 .004 .001 .006 .000 |
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P3 .5381 .3248 .2007 .016 .012 .008 -.001 .005 .001 |
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O1 .25 .116 .1496 |
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O2 .191 .217 -.0206 |
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O3 .232 -.056 .0005 |
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O4 .421 .291 .1144 |
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O5 .462 -.006 .1291 |
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O6 .437 .137 -.0242 |
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O7 .312 .251 .3543 |
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O8 .515 .081 .4211 |
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O9 .464 .289 .5270 |
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O10 .515 .261 .2840 |
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O11 .509 .471 .4025 |
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O12 .743 .078 .3418 |
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O13 .711 -.026 .1659 |
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O14 .958 -.015 .2974 |
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O15 .665 .262 .1921 |
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O16 .929 .268 .3228 |
|
O17 .881 .172 .1506 |
|
|
| Download AMC data (View Text File)
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| |
|
K2 O15 P4 V2 |
| |
Borel M, Leclaire A, Chardon J, Provost J, Rebbah H, Raveau B |
| |
Journal of Solid State Chemistry 132 (1997) 41-46 |
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A V(IV) tetraphosphate with a tunnel structure K2 (V O)2 P4 O13 |
|
_cod_database_code 1001813 |
|
_database_code_amcsd 0013933 |
|
22.181 11.564 9.548 90 90 90 Pbca |
|
atom x y z |
|
V1 .0304 .1198 .2578 |
|
V2 .22498 -.0687 -.0163 |
|
P1 .0299 .3814 .1254 |
|
P2 .1131 .5596 .2191 |
|
P3 .3086 .1510 -.0201 |
|
P4 .1675 .0270 .2708 |
|
K1 -.0619 .1544 -.0661 |
|
K2 .1351 .1998 -.0365 |
|
O1 .0361 .0856 .0959 |
|
O2 .0204 -.0394 .3326 |
|
O3 .1190 .1151 .2973 |
|
O4 .0416 .2917 .2393 |
|
O5 -.0608 .1418 .2559 |
|
O6 .0239 .1714 .4821 |
|
O7 .2759 .8834 .0824 |
|
O8 .2712 -.0729 .8050 |
|
O9 .1626 -.0253 .1262 |
|
O10 .1839 .7760 -.0516 |
|
O11 .2459 .1038 -.0141 |
|
O12 .1446 -.0163 .8443 |
|
O13 .0915 .4573 .1211 |
|
O14 .3410 .1299 .1257 |
|
O15 .3470 .0796 .8751 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
H26 K6 Mo3 O53 P W9 |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Materials Research Bulletin 30 (1995) 1075-1080 |
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A mixed valent Keggin polyoxometallate involving molybdenum and tungsten |
|
_cod_database_code 1001695 |
|
_database_code_amcsd 0014373 |
|
21.381 21.381 21.381 90 90 90 Fm3m |
|
atom x y z occ |
|
W1 .36819 .36819 .24564 .75 |
|
Mo1 .36819 .36819 .24564 .25 |
|
P1 .25 .25 .25 |
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K1 .1880 0 0 |
|
K2 .25 .25 .5 |
|
O1 .4238 .4238 .2590 |
|
O2 .3198 .3198 .0908 |
|
O3 .3034 .3034 .3906 |
|
O4 .2082 .2082 .2082 |
|
O5 .335 0 0 |
|
O6 0 .3900 .3900 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Li0.5 Mo O11 P2 W |
| |
Leclaire A, Borel M, Chardon J, Raveau B |
| |
Materials Research Bulletin 31 (1996) 1257-1262 |
|
Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten |
|
monophosphate Li0.5 Mo W O3 (P O4)2 |
|
_cod_database_code 1001754 |
|
_database_code_amcsd 0014377 |
|
7.735 12.655 8.324 90 105.97 90 P2_1/m |
|
atom x y z occ |
|
W1 .27080 .50078 .34735 .572 |
|
Mo1 .27080 .50078 .34735 .428 |
|
W2 .7309 .25 .1745 .497 |
|
Mo2 .7309 .25 .1745 .503 |
|
W3 .6865 .75 .1698 .360 |
|
Mo3 .6865 .75 .1698 .640 |
|
P1 .3207 .25 .2501 |
|
P2 .8160 .5064 .2609 |
|
P3 .1395 .75 .4091 |
|
Li1 .5 .5 0 |
|
O1 .3371 .5162 .1713 |
|
O2 .5 .5 .5 |
|
O3 .2447 .6531 .384 |
|
O4 .25 .3478 .329 |
|
O5 .0017 .502 .2328 |
|
O6 .1792 .4733 .5611 |
|
O7 .903 .25 .088 |
|
O8 .548 .25 -.024 |
|
O9 .7094 .4075 .188 |
|
O10 .889 .25 .416 |
|
O11 .524 .25 .296 |
|
O12 .623 .75 .344 |
|
O13 .955 .75 .280 |
|
O14 .7045 .5935 .145 |
|
O15 .765 .75 -.061 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78 |
| |
Ledesert M, Maignan A, Chardon J, Martin C, Labbe P, Hervieu M, Raveau B |
| |
Physica C 232 (1994) 387-395 |
|
(Tl, Bi) Sr2 Ca Cu2 O7 "1212" superconducting single crystal. |
|
A structural and magnetic study |
|
_cod_database_code 1001634 |
|
_database_code_amcsd 0015068 |
|
3.7922 3.7922 12.0661 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Tl1 .0575 0 0 .1675 .031 .0137 .0046 0 0 0 |
|
Bi1 .0575 0 0 .0825 .031 .0137 .0046 0 0 0 |
|
Ca1 .5 .5 .5 .89 .0083 .0083 .0091 0 0 0 |
|
Tl2 .5 .5 .5 .11 .0083 .0083 .0091 0 0 0 |
|
Sr1 .5 .5 .2170 .0101 .0101 .0124 0 0 0 |
|
Cu1 0 0 .3642 .0058 .0058 .0106 0 0 0 |
|
O1 0 .5 .3693 .012 .010 .014 0 0 0 |
|
O2 0 0 .1660 .016 .016 .010 0 0 0 |
|
O3 .411 .411 0 .25 .016 .016 .02 -.01 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Ba Mo2 O14 P4 |
| |
Leclaire A, Chardon J, Borel M, Grandin A, Raveau B |
| |
Zeitschrift fur Anorganische und Allgemeine Chemie 617 (1992) 127-130 |
|
A new molybdenum(III) phosphate: BaMo2P4O14 isotypic with |
|
BaM2P4O14 (M=Ti^III^,V^III^) |
|
_cod_database_code 1001516 |
|
_database_code_amcsd 0015799 |
|
10.8135 10.6407 9.8210 90 103.629 90 C2/c |
|
atom x y z |
|
Ba1 .25 .25 .5 |
|
Mo1 0 .5483 .25 |
|
Mo2 0 0 0 |
|
P1 .0564 .3080 .0577 |
|
P2 .2774 .4548 .1998 |
|
O1 .065 .324 -.093 |
|
O2 -.0373 .402 .099 |
|
O3 .017 .176 .094 |
|
O4 .193 .329 .159 |
|
O5 .339 .488 .084 |
|
O6 .183 .558 .213 |
|
O7 .366 .414 .336 |
|
|
| Download AMC data (View Text File)
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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 + '27' where hostname='216.73.216.214'
