American Mineralogist Crystal Structure Database

218 matching records for this search.

In6WO12
 
Michel D, Kahn A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=38&spage=1437
Acta Crystallographica B38 (1982) 1437-1441
The Structure of Indium Tungstate In6WO12: Its Relation with the
Fluorite Structure
_cod_database_code 1001180
_database_code_amcsd 0009761
6.2277 6.2277 6.2277 99.01 99.01 99.01 R-3
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
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O4 Sr Tl2
 
Michel C, Hervieu M, Caignaert V, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=48&spage=1747
Acta Crystallographica C48 (1992) 1747-1749
Structure Refinement of the semi-Metallic Oxide SrTl2O4: a Neutron
Diffraction Study
_cod_database_code 1001537
_database_code_amcsd 0010276
10.0451 11.6905 3.40860 90 90 90 Pnam
atom     x     y   z
Tl1  .4225 .6090 .25
Tl2  .4212 .1093 .25
Sr1  .7534 .6504 .25
O1   .2110 .1772 .25
O2   .1256 .4777 .25
O3   .5188 .7790 .25
O4   .4136 .4254 .25
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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
Structure-Property Relationships for RBa2Cu3Ox Phases
_cod_database_code 1001431
_database_code_amcsd 0011983
3.8519 3.8519 11.8037 90 90 90 P4/mmm
atom  x  y     z occ
Ba1  .5 .5 .1952
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3605
O1    0  0 .1518
O2    0 .5 .3794
O3    0 .5     0 .02
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Ba2 Cu3 O7.34 Y
 
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 1001432
_database_code_amcsd 0011984
3.8657 3.8657 11.6015 90 90 90 P4/mmm
atom  x  y     z occ
Ba1  .5 .5 .1886
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3559
O1    0  0 .1567
O2    0 .5 .3759
O3    0 .5     0 .63
O4    0  0    .5 .08
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Ba1.5 Cu3 La1.5 O7.36
 
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 1001433
_database_code_amcsd 0011985
3.9024 3.9024 11.6908 90 90 90 P4/mmm
atom  x  y     z occ
Ba1  .5 .5 .1814 .75
La1  .5 .5 .1814 .25
La2  .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3465
O1    0  0 .1562
O2    0 .5 .3657
O3    0 .5     0 .64
O4    0  0    .5 .08
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Ba2 Cu3 Nd O6.85
 
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 1001434
_database_code_amcsd 0011986
3.8687 9.9150 11.7477 90 90 90 Pmmm
atom  x  y     z occ
Ba1  .5 .5 .1846
Nd1  .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3505
O1    0  0 .1559
O2    0 .5 .3721
O3   .5  0 .3715
O4    0 .5     0 .71
O5   .5  0     0 .14
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Ba2 Cu3 O6.92 Y
 
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 1001435
_database_code_amcsd 0011987
3.8179 3.8801 11.6655 90 90 90 Pmmm
atom  x  y     z occ
Ba1  .5 .5 .1847
Y1   .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3556
O1    0  0 .1586
O2    0 .5 .3784
O3   .5  0 .3782
O4    0 .5     0 .87
O5   .5  0     0 .05
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Ba2 Cu3 Er O6.99
 
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
3.8123 3.8756 11.6576 90 90 90 Pmmm
atom  x  y     z occ
Ba1  .5 .5 .1838
Er1  .5 .5    .5
Cu1   0  0     0
Cu2   0  0 .3563
O1    0  0 .1596
O2    0 .5 .3790
O3   .5  0 .3791
O4    0 .5     0 .89
O5   .5  0     0 .10
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S48
 
Michel R, Kappes M, Adelmann P, Roth G
 
Angewandte Chemie 106 (1994) 1742-1746
Preparation and Crystal Structure of C76(S8)6: A First Step towards the
Crystallography of Higher Fullerenes
_cod_database_code 1001668
_database_code_amcsd 0011993
10.410 20.500 19.480 90 98.8 90 Cm
atom      x       y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
S1   .75780  .88903 .39632       .0308  .0780  .0395 -.0070  .0071 -.0108
S2   .76072  .79082 .41529       .0254  .0807  .0370 -.0019  .0030  .0021
S3    .5724  .75865 .40458       .0293  .0845  .0369 -.0061  .0109  .0000
S4    .5342  .71481 .30941       .0396  .0805  .0427 -.0086  .0018 -.0040
S5    .4240  .77831 .24402       .0320  .1010  .0502 -.0094 -.0060  .0012
S6    .5478  .82777 .19004       .0461  .0910  .0349 -.0037  .0025 -.0018
S7    .5894  .91431 .24056       .0391  .0800  .0483  .0023  .0060  .0036
S8    .7734   .9045 .29441       .0298  .0879  .0432 -.0100  .0093  .0015
S9    .0218      .5 .41960       .0255   .071  .0548      0  .0154      0
S10  .94112  .41955 .45780       .0264  .0828  .0544  .0051  .0096  .0194
S11  .79318  .38835 .38403       .0326  .0605  .0599  .0025  .0177 -.0020
S12  .62409  .41919 .41643       .0277  .0664  .0493  .0025  .0128  .0114
S13   .5619      .5 .35995       .0297  .0640  .0295      0 -.0022      0
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
S18   .5480       0 .62907       .0280  .0693  .0430      0  .0135      0
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
C13   .2767  -.1059 -.0511 .276
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
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As Cr Pd
 
Deyris B, Roy-Montreuil J, Michel A, Fruchart R, Senateur J, Boursier D
 
Annales de Chimie 4 (1979) 411-417
Influence de l'electronegativite sur l'apparition de l'ordre dans les
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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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Plumbopyrochlore
Download hom/plumbopyrochlore.pdf
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
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Plumbomicrolite
Download hom/plumbomicrolite.pdf
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
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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
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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
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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
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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
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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
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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
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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
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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
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Pyrochlore
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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
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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
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Microlite
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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
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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
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Bariomicrolite
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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
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Bariopyrochlore
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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
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Jeanbandyite
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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
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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
Cu1     0    0     0
Pb1     0   .5 .1446
Sr1     0    0 .3569
Fe1    .5    0    .5
O1   .096 .079  .147 .25
O2      0   .5  .332
O3    .25  .25    .5
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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 1001711
_database_code_amcsd 0013076
5.4606 5.5228 12.2112 90 90 90 P2an
atom    x     y     z
Cu1     0     0     0
Pb1     0  .506 .1445
Sr1     0 -.002 .3567
Fe1    .5     0    .5
O1   .108 -.090  .145
O2      0    .5  .332
O3    .25   .25    .5
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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 1001712
_database_code_amcsd 0013077
5.4604 5.5227 12.2110 90 90 90 P2_1am
atom    x    y     z
Cu1   .25  .25     0
Pb1   .25 .751 .1446
Sr1   .25 .256 .3570
Fe1   .25  .75    .5
O1   .164 .176  .148
O2    .25  .75  .333
O3      0    0    .5
O4     .5   .5    .5
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BiFeO3
 
Moreau J, Michel C, Gerson R, James W
 
Journal of Physics and Chemistry of Solids 32 (1971) 1315-1320
Ferroelectric BiFeO3 X-Ray and neutron diffraction study
_cod_database_code 1001090
_database_code_amcsd 0013200
5.5876 5.5876 13.867 90 90 120 R3c
atom    x    y     z
Bi1     0    0     0
Fe1     0    0 .2212
O1   .443 .012 .9543
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Ba Bi Cu La O6 Pb
 
Pham A, Michel C, Hervieu M, Maignan A, Raveau B
 
Journal of Physics and Chemistry of Solids 54 (1993) 65-71
Substitution of lead for bismuth in the 2201-type oxide
Bi2BaLaCuO6+d
_cod_database_code 1001550
_database_code_amcsd 0013237
5.4028 5.4745 24.515 90 90 90 Fmmm
atom    x    y     z occ
Bi1  .033    0 .1897 .25
Pb1  .033    0 .1897 .25
Ba1     0    0 .4247  .5
La1     0    0 .4247  .5
Cu1     0    0     0
O1    .25  .25     0
O2      0    0 .0968
O3   .094 .110 .3067 .25
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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
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 1001523
_database_code_amcsd 0013238
3.8798 3.8798 12.2573 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .081  0     0 .25
Ba1    .5 .5 .2084  .5
Sr1    .5 .5 .2084  .5
Nd1    .5 .5    .5
Cu1     0  0 .3609
O1      0 .5  .376
O2      0  0  .174
O3     .5 .5     0
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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
_database_code_amcsd 0013239
3.8503 3.8503 12.0724 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .069  0     0 .25
Sr1    .5 .5 .2092
Nd1    .5 .5    .5
Cu1     0  0 .3581
O1      0 .5  .366
O2      0  0  .176
O3     .5 .5     0
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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
3.8421 3.8421 12.2064 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .085  0     0 .25
Ba1    .5 .5 .2098  .5
Sr1    .5 .5 .2098  .5
Y1     .5 .5    .5
Cu1     0  0 .3638
O1      0 .5  .391
O2      0  0  .179
O3     .5 .5     0
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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
3.8157 3.8157 11.9963 90 90 90 P4/mmm
atom    x  y     z occ
Tl1  .060  0     0 .25
Sr1    .5 .5 .2101
Y1     .5 .5    .5
Cu1     0  0 .3638
O1      0 .5  .378
O2      0  0  .173
O3     .5 .5     0
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Nb30 O90 Rb12 W3
 
Michel C, Guyomarch A, Raveau B
 
Journal of Solid State Chemistry 22 (1977) 393-403
Nouveaux echangeurs cationiques avec une structure a tunnels
entrecroises: les oxides  A12M33O90 et A12M33O90(H2O)12
_cod_database_code 1001017
_database_code_amcsd 0013353
7.486 7.486 43.10 90 90 120 R-3m
atom     x      y     z  occ
Rb1      0      0 .2659
Rb2      0      0 .4538
Nb1     .5      0    .5 .909
W1      .5      0    .5 .091
Nb2      0      0 .0998 .909
W2       0      0 .0998 .091
Nb3  .4994 -.4994 .3033 .909
W3   .4994 -.4994 .3033 .091
O1   .5234 -.5234 .3528
O2   .5431 -.5431 .2645
O3   .2162 -.2162 .3032
O4   .2098 -.2098 .4923
O5   .2120 -.2120 .7893
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O78 Rb10 Ta29.2
 
Michel C, Guyomarch A, Raveau B
 
Journal of Solid State Chemistry 25 (1978) 251-261
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
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
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Ba3 Cu6 La3 O14
 
Er-Rakho L, Michel C, Provost J, Raveau B
 
Journal of Solid State Chemistry 37 (1981) 151-156
A Series of Oxygen-Defect Perovskites Containing Cu(II) and Cu(III):
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
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