American Mineralogist Crystal Structure Database

51 matching records for this search.

Ba H2 O5 Ru
 
Nowogrocki G, Abraham F, Trehoux J, Thomas D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=32&spage=2413
Acta Crystallographica B32 (1976) 2413-2419
Configuration de l'ion ruthenate: structure cristalline du
dihydroxotrioxoruthenate(VI) de baryum, Ba (Ru O3 (O H)2)
_cod_database_code 1004035
_database_code_amcsd 0009572
10.023 10.023 25.471 90 90 120 R-3c
atom     x     y     z
Ba1      0     0     0
Ba2      0     0 .1637
Ru1  .3461     0   .25
O1   .1706     0   .25
O2   .4377 .0041 .1910
O3   .4594 .2346 .2502
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Br4 In K
 
Wignacourt J, Mairesse G, Abraham F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=40&spage=2006
Acta Crystallographica C40 (1984) 2006-2007
Potassium Tetrabromoindate(III), K (In Br4)
_cod_database_code 1004072
_database_code_amcsd 0010000
7.891 10.390 10.390 90 90 90 Pnna
atom      x     y     z
In1     .25     0 .1808
Br1   .3428 .1875 .0486
Br2  -.0018 .0544 .3197
K1    .6792   .25   .25
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Ag2(UO2)2V2O8
 
Abraham F, Dion C, Tancret N, Saadi M
 
Advanced Materials Research 1 (1994) 511-520
Ag2(UO2)2V2O8: a new compound with the carnotite structure.  Synthesis,
structure and properties
_database_code_amcsd 0011982
5.8952 8.3541 10.4142 90 100.56 90 P2_1/c
atom      x     y     z Biso
Ag    .5405 .2234 .3360  2.3
U    -.0178 .0214 .1823   .4
V     .1351 .3500 .0408   .8
O1     .056  .148  .010 1.34
O2     .406  .355  .033 1.34
O3     .663  .081  .143 1.34
O4     .143  .287  .204 1.34
O5     .278 -.041  .226 1.34
O6    -.090  .436 -.099 1.34
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Bi3 O11 Ru3
 
Abraham F, Thomas D
 
Bulletin de la Societe Chimique de France 1975 (1975) 25-29
Structure cristalline de Bi3 Ru3 O11
_cod_database_code 1004040
_database_code_amcsd 0012108
9.302 9.302 9.302 90 90 90 *Pn3
.25 .25 .25
atom      x      y      z
Bi1       0      0      0
Bi2  .38379 .38379 .38379
Ru1   .3897    .75    .25
O1     .590    .25    .25
O2     .152   .152   .152
O3     .599   .247   .547
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Bi3 O11 Ru3
 
Abraham F, Thomas D, Nowogrocki G
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 98 (1975) 25-29
Structure cristalline de Bi3 Ru3 O11
_cod_database_code 1004056
_database_code_amcsd 0012141
9.302 9.302 9.302 90 90 90 *Pn3
.25 .25 .25
atom      x      y      z
Bi1       0      0      0
Bi2  .38379 .38379 .38379
Ru1   .3897    .75    .25
O1     .590    .25    .25
O2     .152   .152   .152
O3     .599   .247   .547
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Ba2 Ni O8 P2
 
Elbali B, Boukhari A, Aride J, Belaiche M, Abraham F, Drillon M
 
European Journal of Solid State and Inorganic Chemistry 31 (1994) 61-73
Crystal structure and magnetic properties of Ba2 Ni (P O4)2
_cod_database_code 1004106
_database_code_amcsd 0012586
5.312 8.789 16.06699 90 90.72 90 P2_1/n
atom      x      y      z
Ba1  .29724 .29690 .98135
Ba2  .74252 .84645 .27012
Ni1  .27354 .48772 .36654
P1   .73237 .58609 .42170
P2   .24961 .61141 .16666
O1    .7889  .5847  .5148
O2    .5163  .6968  .4003
O3    .6453  .4302  .3875
O4    .9709  .6348  .3737
O5    .3518  .5274  .0907
O6    .3588  .7751  .1666
O7   -.0399  .6122  .1655
O8    .3525  .5306  .2449
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Bi Cu2 O6 P
 
Abraham F, Ketatni M, Mairesse G, Mernari B
 
European Journal of Solid State and Inorganic Chemistry 31 (1994) 313-323
Crystal structure of a new bismuth copper oxyphosphate: Bi Cu2 P O6
_cod_database_code 1004105
_database_code_amcsd 0012588
11.776 5.1730 7.7903 90 90 90 Pnma
atom      x     y      z
Bi1  .10713   .25 .02360
Cu1   .0898   .75  .6864
Cu2   .0722   .75  .3156
P1    .1972   .25  .4658
O1   -.0056 .0040  .1760
O2    .1232 .4973  .4945
O3    .2986   .25  .5860
O4    .2345   .25  .2782
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O11 U2 V2
 
Tancret N, Obbade S, Abraham F
 
European Journal of Solid State and Inorganic Chemistry 32 (1995) 195-207
Ab initio structure determination of uranyl divanadate (U O2)2 V2 O7
from powder X-ray diffraction data
_cod_database_code 1004107
_database_code_amcsd 0012594
5.6492 13.1841 7.2844 90 119.745 90 P2_1/c
atom     x     y     z
U1   .1647 .6783 .3297
V1    .199 .5731  .851
O1    .151  .662  .007
O2    .827  .690  .212
O3      .5    .5     0
O4    .194  .651  .663
O5    .507  .652  .461
O6   -.068  .495  .732
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Bi Ni O5 P
 
Abraham F, Ketatni M
 
European Journal of Solid State and Inorganic Chemistry 32 (1995) 429-437
Crystal structure of a new bismuth nickel oxophosphate: Bi Ni O P O4
_cod_database_code 1004108
_database_code_amcsd 0012596
7.1664 11.206 5.1732 90 107.28 90 P2_1/n
atom      x      y      z
Bi1  .19137 .09956 .10964
Ni1   .8137  .0805  .3702
P1    .0217  .3475  .2194
O1    .3385  .9172  .0473
O2   -.0147  .2221  .3138
O3    .8294  .4176  .1131
O4    .4841  .4758  .2450
O5    .6106  .1718  .4856
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Nd O4 Os
 
Abraham F, Trehoux J, Thomas D
 
Journal of Inorganic and Nuclear Chemistry 42 (1980) 1627-1630
Crystal structure of Nd Os O4 a new Ba Zn F4 -type compound
_cod_database_code 1004067
_database_code_amcsd 0013055
14.859 7.55 5.487 90 90 90 Pna2_1
atom     x     y      z
Nd1  .4037 .1213  .2456
Nd2  .4368 .6230  .1892
Os1  .6658 .1206    .25
Os2  .6681 .6205  .2547
O1   .6006 .1642 -.0340
O2   .9427 .1544 -.0358
O3   .5847 .6040 -.0195
O4   .9510 .5989 -.0555
O5   .7786 .1706  .0840
O6   .7704 .5762  .0662
O7   .1607 .1212  .3441
O8   .6722 .8756  .1724
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Ni3 O9 Sr4
 
Abraham F, Minaud S, Renard C
 
Journal of Materials Chemistry 4 (1994) 1763-1764
Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual
formula of the so-called Sr5 Ni4 O11
_cod_database_code 1004109
_database_code_amcsd 0013072
9.477 9.477 7.825 90 90 120 P321
atom     x     y     z  occ
Sr1  .0233 .6918 .2476
Sr2  .3276     0    .5
Sr3  .3603     0     0
Ni1    1/3   2/3 .1086
Ni2    1/3   2/3 .4217
Ni3      0     0 .3383
Ni4    2/3   1/3  .237  .58
Ni5      0     0     0 .655
Ni6   .610  .273  .241  .14
Ni7   .924     0     0 .115
O1    .819    .5  .038
O2    .158  .007  .190
O3    .172  .519  .263
O4    .671  .177  .445
O5    .846     0    .5
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Bi2.37 H1.9 K1.14 O6.8
 
Trehoux J, Abraham F, Thomas D
 
Journal of Solid State Chemistry 21 (1977) 203-209
Etude structurale d'un pyrochlore non stoechiometrique et desordonne
contenant Bi(III) et Bi(V)
_cod_database_code 1004037
_database_code_amcsd 0013342
10.965 10.965 10.965 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z   occ
K1     .5   .5   .5   .57
Bi1    .5   .5   .5  .185
Bi2     0    0    0  .135
Bi3     0    0    0  .865
O1   .324 .125 .125 .8167
O2   .324 .125 .125 .1833
O3    .41  .41  .41    .2
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La3 O10 Os2
 
Abraham F, Trehoux J, Thomas D
 
Journal of Solid State Chemistry 29 (1979) 73-79
La3Os2O10, a new compound containing isolated clusters Os2O10
with metal-metal bonds
_cod_database_code 1004047
_database_code_amcsd 0013367
7.911 7.963 6.966 90 115.76 90 C2/m
atom      x      y      z
La1       0     .5      0
La2       0 .24319     .5
Os1  .13397      0 .17838
O1   .86059      0 .10590
O2   .13993 .23735 .21221
O3   .40242      0 .28138
O4   .17857      0 .47689
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La3.5 O13 Ru4
 
Abraham F, Trehoux J, Thomas D
 
Journal of Solid State Chemistry 32 (1980) 151-160
La3.5 Ru4 O13: Un Nouveau Compose a Feuillets de Type Perovskite
_cod_database_code 1004049
_database_code_amcsd 0013381
11.994 5.609 3.856 90 90 90 Pmmm
atom      x      y      z occ
La1       0     .5 .45700  .5
La2  .27702      0     .5
La3      .5     .5      0  .5
Ru1       0      0      0
Ru2  .22565     .5      0
Ru3      .5 .25633      0  .5
O1   .33662 .24239      0
O2       .5      0 .36725  .5
O3       .5     .5  .3587  .5
O4   .05577      0     .5  .5
O5   .21694 .43305     .5  .5
O6   .08934 .29631 .06108 .25
O7   .12843 .20483 .12919 .25
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H12 In N3 O12 S3
 
Jolibois B, Laplace G, Abraham F, Nowogrocki G
 
Journal of Solid State Chemistry 40 (1981) 69-74
Monoclinic-trigonal transition in some M(I)3 M'(III) (S O4)3 compounds:
The high temperature form of (N H4) In (S O4)3
_cod_database_code 1004126
_database_code_amcsd 0013421
15.531 15.531 9.163 90 90 120 R3c
atom     x      y     z
N1   .4148 -.0260 .2761
In1      0      0     0
S1   .1738  .0261 .2479
O1   .0291  .1241 .1367
O2   .1282  .0209 .3882
O3   .2309 -.0224 .2653
O4   .2357  .1269 .2038
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H O9 S2 Tl3
 
Abraham F, Nowogrocki G, Jolibois B, Laplace G
 
Journal of Solid State Chemistry 47 (1983) 1-5
On Basic Thallium Sulfates: Structure of Tl2 Tl OH(SO4)2
_cod_database_code 1004058
_database_code_amcsd 0013502
7.758 17.587 7.356 90 119.91 90 Cc
atom      x     y     z
Tl1  -.0445 .1131 .2167
Tl2  -.0330 .5206 .1911
Tl3     .25 .2467     0
S1   -.0266 .3222 .2417
S2    .4920 .4128 .2502
O1   -.1281 .3638 .0401
O2    .4115 .3569 .0688
O3    .6285 .4643 .2290
O4   -.1667 .2697 .2595
O5    .1311 .2742 .2499
O6    .3299 .4537 .2501
O7    .0515 .3739 .4205
O8    .6051 .3688 .4529
O9    .4853 .1959 .2821
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Bi3 K2 O13 P3
 
Debreuille-Gresse M, Drache M, Abraham F
 
Journal of Solid State Chemistry 62 (1986) 351-359
The crystal structure, phase transition, and dielectric properties of
K2 Bi3 (P O4)3 O, a new oxyphosphate
_cod_database_code 1004110
_database_code_amcsd 0013579
13.139 10.413 9.239 90 90 90 Pnma
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .0834 .0524 .1933      .0262  .0186  .0214 -.0013 -.0084  .0018
Bi2  .0256   .25 .5143      .0112  .0203  .0173      0  .0004      0
K1   .7673   .75 .2036
K2   .7997   .25 .1549
P1   .3429 .0274 .0569
P2   .0096 .7313 .0804  .5
O1    .346 -.120  .069
O2    .352  .067 -.102
O3    .244  .081  .120
O4    .431  .086  .139
O5    .602   .25  .197
O6    .031  .832 -.039  .5
O7   -.075  .631  .038  .5
O8    .112  .656  .101  .5
O9   -.022  .800  .219  .5
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Bi3 K2 O13 P3
 
Debreuille-Gresse M, Drache M, Abraham F
 
Journal of Solid State Chemistry 62 (1986) 351-359
The crystal structure, phase transition, and dielectric properties of
K2 Bi3 (P O4)3 O, a new oxyphosphate
_cod_database_code 1004111
_database_code_amcsd 0013580
13.302 10.506 9.240 90 90 90 Pnma
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .0823 .0595 .1927      .0370  .0348  .0349  .0017 -.0060 -.0026
Bi2  .0230   .25 .5209      .0278  .0323  .0354      0  .0006      0
K1   .7608   .75  .201
K2   .7961   .25 .1547
P1   .3445 .0242 .0627
P2   .0109 .7422 .0733  .5
O1    .353 -.120  .077
O2    .357  .063 -.095
O3    .248  .073  .129
O4    .429  .092  .143
O5    .598   .25  .205
O6    .042  .855 -.013  .5
O7   -.080  .665  .016  .5
O8    .103  .649  .081  .5
O9   -.021  .792  .222  .5
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O4 Pb2 Pt
 
Bettahar N, Conflant P, Abraham F, Thomas D
 
Journal of Solid State Chemistry 67 (1987) 85-90
Pb2 Pt O4. A new platinum-lead oxide with edge-shared Pt O6
octahedral chains
_cod_database_code 1004084
_database_code_amcsd 0013595
9.115 7.941 6.306 90 90 90 Pbam
atom     x     y     z
Pb1  .3273 .1093     0
Pb2  .8435 .6399    .5
Pt1      0     0 .2510
O1    .169  .168  .247
O2   -.092  .129    .5
O3   -.110  .110     0
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Bi2 K3 O12 V3
 
Debreuille-Gresse M, Abraham F
 
Journal of Solid State Chemistry 71 (1987) 466-471
Crystal structure and electrical properties of K3 Bi2 (V O4)3,
a new potassium bismuth vanadate
_cod_database_code 1004081
_database_code_amcsd 0013606
13.957 13.858 7.095 90 112.80 90 C2/c
atom      x      y      z
Bi1  .23314 .14628 .15221
V1    .7417  .3878  .1394
V2        0  .7610    .25
K1        0  .2763    .25
K2        0  .0209    .25
K3        0     .5      0
O1    .4290  .3373  .0459
O2    .8252  .1662  .0991
O3    .8516  .4372  .1427
O4    .5737  .1878  .1696
O5    .6661  .4769  .1658
O6    .2310  .3059  .1504
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Bi2.33 D K1.17 O6.5
 
Trehoux J, Abraham F, Thomas D, Doremieuz-Morin C, Arribart H
 
Journal of Solid State Chemistry 73 (1988) 80-91
Neutron Diffraction and ^1^H Rigid Lattice Wide-Line NMR Studies of
Powder (K, Bi^III^, Bi^V^) Pyrochlores
_cod_database_code 1004085
_database_code_amcsd 0013609
10.9431 10.9431 10.9431 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z  occ
Bi1      0    0    0 .105
Bi2      0    0    0 .895
Bi3     .5   .5   .5 .165
K1      .5   .5   .5 .585
O1   .3238 .125 .125
O2    .450 .450 .450  .11
O3    .375 .375 .375  .15
D1    .410 .410 .519  .08
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Ni2 O8 P2 Sr
 
Elbali B, Boukhari A, Aride J, Abraham F
 
Journal of Solid State Chemistry 104 (1993) 453-459
The crystal structure of SrNi2(PO4/4)2
_cod_database_code 1004100
_database_code_amcsd 0013779
5.468 6.667 9.156 110.58 100.87 98.01 P-1
atom      x      y      z
Sr1  .75692 .79799 .55526
Ni1  .14162 .85599 .05986
Ni2  .49302 .41054 .15471
P1    .6550 -.0266  .1963
P2    .1072  .5704  .2581
O1    .1193  .4048  .0919
O2    .5029  .7327  .0814
O3    .8787  .0453  .1316
O4    .4535  .1170  .1862
O5    .1516  .8036  .2625
O6    .8542  .5111  .2984
O7    .7497  .0013  .3698
O8    .3381  .5464  .3734
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Bi1.62 O16 V8
 
Abraham F, Mentre O
 
Journal of Solid State Chemistry 109 (1994) 127-133
Bi1.7V8O16 The first Bi-hollandite-type compound
_cod_database_code 1004104
_database_code_amcsd 0013799
9.930 9.930 2.914 90 90 90 I4/m
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1       0      0 .10449 .406  .0147  .0147  .0322      0      0      0
V1   .35504 .17023      0       .0058  .0058  .0090  .0002      0      0
O1   .15302 .19406      0
O2   .54078 .16439      0
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Cu Na2 O7 P2
 
Erragh F, Boukhari A, Abraham F, Elouadi B
 
Journal of Solid State Chemistry 120 (1995) 23-31
The crystal structure of alpha- and beta- Na2 Cu P2 O7
_cod_database_code 1004112
_database_code_amcsd 0013876
8.823 13.494 5.108 90 92.77 90 P2_1/n
atom      x      y      z
Cu1  .25768 .15840 .20512
P1   .72850 .46307 .20705
P2   .95594 .31901  .2288
Na1   .6517  .2082  .2335
Na2   .1308  .8902  .2188
O1    .9119  .2756  .4915
O2    .8603  .2741  .0019
O3    .6785  .4470 -.0808
O4    .6503  .3873  .3816
O5    .7153  .5674  .2945
O6    .1232  .3120  .1925
O7    .9084  .4344  .2344
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Cu Na2 O7 P2
 
Erragh F, Boukhari A, Abraham F, Elouadi B
 
Journal of Solid State Chemistry 120 (1995) 23-31
The crystal structure of alpha- and beta- Na2 Cu P2 O7
_cod_database_code 1004113
_database_code_amcsd 0013877
14.728 5.698 8.067 90 115.15 90 C2/c
atom      x      y      z
Cu1       0      0      0
P1   .10478 .34114 .84425
Na1  .27068  .6399  .2009
O1    .1017  .2135  .0077
O2    .1878  .5160  .8983
O3    .1072  .1677  .7006
O4        0  .4825    .75
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Bi26 Mo6.14 O68 V3.86
 
Vannier R, Mairesse G, Abraham F, Nowogorocki G
 
Journal of Solid State Chemistry 122 (1996) 394-406
Bi26Mo10Od solid solution type in the Bi2O3 - MoO3 - V2O5 ternary diagram
_cod_database_code 1004118
_database_code_amcsd 0013882
11.633 5.795 24.39 90 101.35 90 P2/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .03800  .4128 .32736      .0145  .0099  .0089  .0007  .0011 -.0011
Bi2  .15857  .9101 .24508      .0137  .0099  .0153 -.0001  .0027 -.0006
Bi3  .23743  .0047 .40059      .0199  .0148  .0117  .0025 -.0026 -.0009
Bi4  .35916  .4960 .32079      .0109  .0144  .0189  .0000 -.0008 -.0045
Bi5  .27319  .4962 .15770      .0120  .0180  .0214  .0025  .0055  .0055
Bi6  .08283  .0009 .08970      .0198  .0147  .0099 -.0033  .0041 -.0008
Bi7    .510   .502  .0076  .5   .043   .037   .017  -.002   .004  -.008
Mo1   .4272 -.0076  .0794 .58   .014   .025   .021   .000   .005  -.004
V1    .4272 -.0076  .0794 .42   .014   .025   .021   .000   .005  -.004
Mo2   .8309  .5131  .0126 .68   .025   .015   .007   .001   .002   .001
V2    .8309  .5131  .0126 .32   .025   .015   .007   .001   .002   .001
Mo3      .5   .007    .25 .55   .014   .015   .043      0   .009      0
V3       .5   .007    .25 .45   .014   .015   .043      0   .009      0
O1        0   .719    .25
O2     .140   .253  .1521
O3     .136   .744  .1521
O4     .237   .763  .3359
O5     .254   .581  .2420
O6     .059   .054  .3670
O7        0   .232    .25
O8     .229   .264  .3352
O9     .496   .727   .079
O10    .379   .067   .011
O11    .312  -.012   .108
O12    .527   .195   .097
O13    .919   .287   .032
O14    .803   .544  -.056
O15    .894   .754   .048
O16    .700   .452   .038
O17    .378   .168   .246
O18    .483    .83   .199
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Bi26 Mo10 O69
 
Vannier R, Mairesse G, Abraham F, Nowogorocki G
 
Journal of Solid State Chemistry 122 (1996) 394-406
Bi26Mo10Od solid solution type in the Bi2O3 - MoO3 - V2O5 ternary diagram
_cod_database_code 1004131
_database_code_amcsd 0013883
11.742 5.800 24.76999 90 102.94 90 P2/c
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .04101  .4163 .32690      .0129  .0123  .0129  .0004  .0041 -.0014
Bi2  .15779  .9151 .24587      .0114  .0106  .0195  .0002  .0063 -.0004
Bi3  .24670  .0113 .40065      .0190  .0135  .0132  .0022  .0039  .0010
Bi4  .36084  .5026 .32328      .0099  .0151  .0204  .0002  .0042 -.0024
Bi5  .26942  .5034 .16025      .0094  .0155  .0166  .0017  .0051  .0044
Bi6  .07778  .0081 .09138      .0144  .0136  .0110 -.0022  .0034  .0003
Bi7   .5120   .478  .0101  .5   .040   .074   .023   .004   .015   .000
Mo1   .4180 -.0045  .0775      .0120   .019   .029 -.0014  .0082   .001
Mo2   .8317  .5160  .0108       .041   .020   .017   .002   .005   .002
Mo3      .5  .0078    .25       .019   .019   .032      0   .005      0
O1        0   .727    .25
O2     .136   .261  .1582
O3     .132   .755  .1539
O4     .238   .769  .3362
O5     .255   .589  .2440
O6     .063   .066  .3674
O7        0   .239    .25
O8     .230   .269  .3350
O9     .506   .735   .082
O10    .379   .106   .013
O11    .302  -.024   .105
O12    .528   .205   .099
O13    .929   .303   .023
O14    .800   .552  -.058
O15    .888   .755   .049
O16    .710   .433   .032
O17    .378   .166   .245
O18    .482   .820   .194
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PbPt2O4
 
Tancret N, Obbade S, Bettahar N, Abraham F
 
Journal of Solid State Chemistry 124 (1996) 309-318
Synthesis and ab initio structure determination from powder X-ray
diffraction data of a new metallic mixed-valence platinum-lead oxide PbPt2O4
_cod_database_code 1004132
_database_code_amcsd 0013899
6.1161 6.6504 5.5502 97.178 108.803 115.241 P-1
atom    x     y     z
Pb1   .75 .8609 .1430
Pt1     0    .5    .5
Pt2    .5     0    .5
Pt3     0    .5     0
Pt4    .5    .5    .5
O1   .598  .282  .350
O2   .336    .5  .120
O3   .163  .850  .176
O4   .127  .274  .481
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O11 Pb V6
 
Mentre O, Abraham F
 
Journal of Solid State Chemistry 125 (1996) 91-101
New mixed valence compounds in the Pb - V - O system synthesis and
crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type
hexagonal ferrite Pb V6 O11
_cod_database_code 1004115
_database_code_amcsd 0013900
5.754 5.754 13.267 90 90 120 P6_3mc
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1    1/3   2/3  .2231  .0080  .0080 .00106  .0040      0      0
V1   .5112 .4888 -.0021  .0021  .0021 .00049  .0004  .0001 -.0001
V2       0     0  .1447  .0027  .0027  .0005 .00135      0      0
V3       0     0  .3501  .0023  .0023  .0004 .00115      0      0
V4     2/3   1/3  .2633  .0026  .0026  .0010  .0013      0      0
O1   .1764 .8236  .0776
O2   .1516 .8484    .75
O3   .1713 .8287  .4169
O4     2/3   1/3  .4109
O5     2/3   1/3  .0936
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Ba2 O9 V3
 
Dhaussy A, Abraham F, Mentre O, Steinfink H
 
Journal of Solid State Chemistry 126 (1996) 328-335
Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV)
vanadate containing rutile-like chains of V O6 octahedra
_cod_database_code 1004116
_database_code_amcsd 0013901
9.302 5.969 8.118 90 113.96 90 P2_1/m
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .58821    .25 .19377      .0081  .0099  .0096      0  .0037      0
Ba2  .76547    .25 .78224      .0153  .0209  .0139      0  .0098      0
V1   .32357    .25 .52905      .0070  .0060  .0097      0  .0043      0
V2   .18540    .25 .92363      .0074  .0087  .0064      0  .0018      0
V3   .98928 .03453 .47520  .5  .0064  .0054  .0078 -.0013  .0021 -.0011
O1    .3047  .0236 -.0083      .0167  .0088  .0117  .0019  .0026  .0017
O2    .2088  .0050  .4918      .0074  .0081  .0180 -.0009  .0051 -.0010
O3    .4228    .25  .3991      .0348  .0276  .0311      0  .0278      0
O4    .0681    .25  .0310      .0171  .0566  .0154      0  .0110      0
O5    .4537    .25  .7435      .0102  .0166  .0155      0 -.0014      0
O6    .9283    .25  .3286      .0090  .0125  .0107      0  .0036      0
O7    .0618    .25  .6790      .0116  .0076  .0077      0  .0016      0
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Fe1.75 O11 Pb V4.25
 
Mentre O, Dhaussy A, Abraham F, Steinfink H
 
Journal of Solid State Chemistry 130 (1997) 223-233
Effect of iron substitution on the structural, electric, and magnetic
properties in R-type Pb Fex V6-x O11, a frustrated system
_cod_database_code 1004123
_database_code_amcsd 0013923
5.742 5.742 13.507 90 90 120 P6_3mc
atom     x     y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1    1/3   2/3  .2214      .0162  .0162  .0140  .0081      0      0
V1   .5094 .4906 -.0003      .0085  .0085  .0407  .0042      0      0
V2       0     0  .1459 .75  .0002  .0002  .0055  .0001      0      0
Fe1      0     0  .1459 .25  .0002  .0002  .0055  .0001      0      0
V3       0     0  .3522  .5  .0048  .0048  .0029  .0012  .0015 -.0015
Fe2      0     0  .3522  .5  .0048  .0048  .0029  .0012  .0015 -.0015
Fe3    2/3   1/3  .2703      .0072  .0072  .0010  .0036      0      0
O1    .173  .827   .081
O2    .153  .847    .75
O3    .173  .827   .421
O4     2/3   1/3   .420
O5     2/3   1/3   .086
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Bi9 Cl O18 V2
 
Mentre O, Abraham F
 
Journal of Solid State Chemistry 136 (1998) 34-45
Synthesis, crystal structure, infrared characterization, and electrical
properties of the new Bi9 (V(1-x) P(x))2 Cl O18 series (0 <= x <= 1)
_cod_database_code 1004152
_database_code_amcsd 0013948
11.671 5.463 14.792 90 93.67 90 P2_1/m
atom      x     y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .30514   .25 .21706      .0061  .0112  .0096      0  .0004      0
Bi2  .54312   .25 .65271      .0085  .0092  .0064      0 -.0010      0
Bi3  .86075   .25 .66356      .0080  .0216  .0067      0  .0010      0
Bi4  .95414   .25 .15650      .0064  .0238  .0068      0  .0004      0
Bi5  .61437   .25 .20042      .0074  .0250  .0096      0  .0005      0
Bi6  .26125   .25 .47071      .0102  .0163  .0055      0 -.0006      0
Bi7  .26166   .25 .95538      .0075  .0114  .0069      0  .0001      0
Bi8  .96168   .25 .41215      .0078  .0112  .0099      0  .0005      0
Bi9  .55723 .3057 .91299  .5  .0095  .0158  .0221  .0044  .0041  .0083
V1    .1984   .25  .7196       .006   .008   .008      0  -.001      0
V2    .8609   .25  .9070       .006   .032   .006      0   .000      0
Cl1   .5715   .25  .4330       .081   .026   .022      0  .0004      0
O1    .5995 -.003  .0861
O2    .4538 -.001  .2279
O3    .2950  .505  .3599
O4    .1047  .493  .4526
O5    .3613   .25  .0768
O6    .7612   .25  .8196
O7    .1872  .004  .2101
O8    .0466   .25  .2814
O9    .0975   .25  .6333
O10   .3311   .25  .6865
O11   .9880  .151  .8818  .5
O12   .8725  .586  .9136  .5
O13   .8109  .165  .0025  .5
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Bi26.4 Mo9.6 O68.4
 
Vannier R, Abraham F, Nowogrocki G, Mairesse G
 
Journal of Solid State Chemistry 142 (1999) 294-304
New structural and electrical data on Bi-Mo mixed oxides with a
structure based on (B12 O14)(infinite) columns
_cod_database_code 1004134
_database_code_amcsd 0013958
11.7525 5.8005 24.8024 90 102.867 90 P2/c
atom     x     y      z occ
Bi1  .0409  .416  .3261
Bi2  .1584  .920  .2456
Bi3  .2483  .008  .4013
Bi4  .3607  .502  .3241
Bi5  .2698  .501  .1597
Bi6  .0761  .004  .0908
Bi7   .522  .536   .009  .5
Mo1  .4162 -.007  .0782 .96
Bi8  .4162 -.007  .0782 .04
Mo2  .8329  .512  .0105 .96
Bi9  .8329  .512  .0105 .04
Mo3     .5  .006    .25 .96
Bi10    .5  .006    .25 .04
O1       0  .713    .25
O2   .1438  .258  .1584
O3   .1264  .755  .1539
O4    .237  .766  .3368
O5   .2529  .591  .2424
O6   .0610  .068  .3670
O7       0  .222    .25
O8    .235  .265  .3362
O9    .514 -.254  .0851
O10   .384  .106  .0100
O11   .304 -.009  .1080
O12   .531  .216  .0967
O13   .932  .293  .0284
O14   .799  .561 -.0583
O15   .885  .757  .0463
O16   .708  .423  .0377
O17   .375  .172  .2423
O18   .478 -.167  .1905
O19   .485   .39   .182  .1
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O10 Ru3 Sr2
 
Renard C, Daviero-Minaud S, Abraham F
 
Journal of Solid State Chemistry 143 (1999) 266-272
High-pressure synthesis and crystal structure of a new strontium
ruthenium oxide: Sr2 Ru3 O10
_cod_database_code 1004145
_database_code_amcsd 0013971
10.985 5.635 6.452 90 105.3 90 C2/m
atom      x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ru1       0     0     0  .0065  .0032  .0042      0  .0036      0
Ru2       0 .2299    .5  .0044  .0036  .0042      0  .0030      0
Sr1  .67081     0 .1455  .0068  .0078  .0100      0  .0043      0
O1   -.0193 .2458 .1915   .013   .005   .004   .001   .005  -.002
O2    .1918     0  .116   .008   .017   .007      0   .004      0
O3    .3839     0  .475   .003   .006   .010      0   .002      0
O4    .8611     0  .459   .003   .008   .014      0   .003      0
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O12 Ru3.05 Sr4
 
Renard C, Daviero-Minaud S, Huve M, Abraham F
 
Journal of Solid State Chemistry 144 (1999) 125-135
Sr4 Ru3.05 O12: a new member of the hexagonal perovskite family
_cod_database_code 1004146
_database_code_amcsd 0013973
5.566 5.566 18.18599 90 90 120 P6_3mc
atom    x     y     z occ
Sr1     0     0     0
Sr2   2/3   1/3  .125
Sr3   1/3   2/3  .239
Sr4   2/3   1/3 .3560
Ru1   1/3   2/3 .0533
Ru2   1/3   2/3 .4292
Ru3     0     0 .1756 .50
Ru4     0     0 .3094 .55
O1   .518  .482 -.002
O2   .176 -.176  .122
O3   .839  .161  .249
O4   .166 -.166  .380
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O5 Pb0.3 V2
 
Mentre O, Huve M, Abraham F
 
Journal of Solid State Chemistry 145 (1999) 186-196
Bidimensional cationic ordering and thermal dependence
in beta- Pb(x)V2O5 bronzes
_cod_database_code 1004147
_database_code_amcsd 0013975
15.478 3.644 10.123 90 109.29 90 C2/m
atom      x y      z  occ
Pb1  .00433 0 .39454 .451
V1   .33531 0  .0982
V2   .11721 0  .1157
V3   .28448 0  .4081
O1        0 0      0
O2    .8133 0  .0504
O3    .6337 0  .0776
O4    .4351 0  .2161
O5    .2629 0  .2219
O6    .1096 0  .2728
O7    .7564 0  .4245
O8    .3944 0  .4699
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O5 Pb0.304 V2
 
Mentre O, Huve M, Abraham F
 
Journal of Solid State Chemistry 145 (1999) 186-196
Bidimensional cationic ordering and thermal dependence
in beta- Pb(x)V2O5 bronzes
_cod_database_code 1004148
_database_code_amcsd 0013976
15.478 7.288 10.123 90 109.29 90 P2_1/m
atom      x     y     z  occ
Pb1   .5040 .0032 .3948 .466
Pb2  .00453   .75 .3944 .892
V1    .8314 .5012 .0964
V2    .3391   .75 .1008
V3    .3381   .25 .0984
V4    .6115 .4992 .1112
V5    .1213   .75 .1155
V6    .1259   .25 .1260
V7    .7800 .5017 .4036
V8    .2874   .75 .4112
V9    .2906   .25 .4144
O1   -.0002   .25 -.005
O2       .5     0     0
O3     .315  .001  .054
O4     .807   .75  .046
O5     .815   .25  .045
O6     .130  .003  .075
O7     .637   .75  .080
O8     .637   .25  .079
O9     .939 -.010  .217
O10    .432   .75  .215
O11    .430   .25  .215
O12    .760  .003  .222
O13    .267   .75  .221
O14    .264   .25  .222
O15    .614  .003  .278
O16    .108   .75  .269
O17    .101   .25  .265
O18    .251     0  .423
O19    .756   .75  .421
O20    .766   .25  .431
O21    .892  .014  .468
O22    .395   .75  .471
O23    .397   .25  .472
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Cs O11 U V3
 
Duribreux I, Dion C, Abraham F
 
Journal of Solid State Chemistry 146 (1999) 258-265
Cs U V3 O11: a new uranyl vanadate with a layered structure
_cod_database_code 1004149
_database_code_amcsd 0013977
11.904 6.821 12.095 90 106.989 90 P2_1/a
atom      x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
U1   .30312 .0008 .18227  .0038  .0032  .0126  .0003  .0033  .0002
Cs1   .1202 .7337  .4434  .0970  .0463  .0268  .0058  .0025 -.0043
V1    .3162 .5040  .2268  .0064  .0038  .0196 -.0010  .0054  .0010
V2    .0672 .2501  .2297  .0030  .0041  .0239  .0003  .0065  .0002
V3    .5407 .7494  .1384  .0109  .0097  .0221  .0001  .0065 -.0003
O1    .2596  .003  .0305
O2    .3463 -.008  .3352
O3    .3556  .516   .365
O4    .1088  .251   .370
O5     .002  .248  -.001
O6    .4069  .692   .185
O7    .2004  .691   .182
O8    .4097  .309   .194
O9    .2035  .309  .1935
O10   .0984 -.003  .1911
O11   .0126  .503  .1903
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Ir3 La3 O11
 
Abraham F, Trehoux J, Thomas D
 
Journal of the Less-Common Metals 63 (1979) P57-P63
Preparation et etude structurale d'un nouveau compose contenant le
cluster M12 O36 * La3 Ir3 O11
_cod_database_code 1004066
_database_code_amcsd 0014142
9.499 9.499 9.499 90 90 90 *Pn3
.25 .25 .25
atom      x      y      z
La1       0      0      0
La2  .38625 .38625 .38625
Ir1  .40690    .75    .25
O1    .6143    .25    .25
O2    .1473  .1473  .1473
O3    .5855  .2515  .5417
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Nd4 O19 Os6
 
Abraham F, Trehoux J, Thomas D
 
Journal of the Less-Common Metals 77 (1981) P23-P30
Caracterisation et structure d'un nouvel oxyde de neodyme et d'osmium
derive du type K Sb O3-cubique: Nd4 Os6 O19
_cod_database_code 1004068
_database_code_amcsd 0014145
8.957 8.957 8.957 90 90 90 I23
atom      x      y      z
Nd1  .15737 .15737 .15737
Os1  .36153     .5      0
O1    .3228      0      0
O2        0      0      0
O3    .3408 .28379 .97853
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K2 O16 Ru8
 
Djafri F, Canonne J, Abraham F, Thomas D
 
Journal of the Less-Common Metals 109 (1985) 323-329
Insertion de lithium dans la phase de structure hollandite: KxRu8O16 (x=1.5)
_cod_database_code 1004080
_database_code_amcsd 0014156
9.866 9.866 3.131 90 90 90 I4/m
atom       x      y  z
K1         0      0 .5
Ru1   .35023 .16757  0
O1   .149070 .19834  0
O2    .54518 .15802  0
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La4 O19 Ru6
 
Abraham F, Trehoux J, Thomas D
 
Materials Research Bulletin 12 (1977) 43-52
La liaison metal-metal dans les clusters M12 O36: I - preparation
et etudes structurale des phases La4 M6 O19 (M = Ru, Os)
_cod_database_code 1004061
_database_code_amcsd 0014252
8.981 8.981 8.981 90 90 90 I23
atom      x      y      z
La1  .16279 .16279 .16279
Ru1  .36147     .5      0
O1   .33313      0      0
O2        0      0      0
O3   .34044 .28582 .97122
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La4 O19 Os6
 
Abraham F, Trehoux J, Thomas D
 
Materials Research Bulletin 12 (1977) 43-52
La liaison metal-metal dans les clusters M12 O36: I - preparation
et etudes structurale des phases La4 M6 O19 (M = Ru, Os)
_cod_database_code 1004062
_database_code_amcsd 0014253
9.050 9.050 9.050 90 90 90 I23
atom      x      y      z
La1  .16016 .16016 .16016
Os1  .36189     .5      0
O1   .32637      0      0
O2        0      0      0
O3   .33894 .28494 .97458
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La3 O11 Ru3
 
Abraham F, Trehoux J, Thomas D
 
Materials Research Bulletin 13 (1978) 805-810
La liaison metal-metal dans les clusters M12 O36: II-Preparation et
etude structurelle de la phase La3 Ru3 O11
_cod_database_code 1004063
_database_code_amcsd 0014268
9.466 9.466 9.466 90 90 90 *Pn3
.25 .25 .25
atom      x      y      z
La1       0      0      0
La2  .38707 .38707 .38707
Ru1  .40831    .75    .25
O1   .61933    .25    .25
O2   .14430 .14430 .14430
O3   .58466 .25383 .53985
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Bi2.51 H1.3 Na1.09 O6.86
 
Trehoux J, Abraham F, Thomas D
 
Materials Research Bulletin 17 (1982) 1235-1243
Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)-Bi-O
_cod_database_code 1004128
_database_code_amcsd 0014298
10.94 10.94 10.94 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z  occ
Na1    .5   .5   .5 .545
Bi1    .5   .5   .5 .255
Bi2     0    0    0 .055
Bi3     0    0    0 .945
O1   .323 .125 .125
O2    .41  .41  .41  .05
O3    .41  .41  .41 .165
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Bi H0.5 K O3.25
 
Trehoux J, Abraham F, Thomas D
 
Materials Research Bulletin 17 (1982) 1235-1243
Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)-Bi-O
_cod_database_code 1004129
_database_code_amcsd 0014299
10.035 10.035 10.035 90 90 90 Pn3
atom    x   y   z
K1    .75 .75 .75
K2    .14 .14 .14
Bi1  .333  .5   0
O1   .365   0   0
O2    .29   0 .33
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O6 Rb W1.6
 
Driouiche A, Abraham F, Touboul M, Figlarz M
 
Materials Research Bulletin 26 (1991) 901-908
Synthesis and characterization of cubic pyrochlore-type rubidium and
caesium tungstates with a lacunar host lattice
_cod_database_code 1004089
_database_code_amcsd 0014359
10.176 10.176 10.176 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Rb1  .375 .375 .375
W1      0    0    0  .8
O1   .315 .125 .125
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Cs O6 W1.6
 
Driouiche A, Abraham F, Touboul M, Figlarz M
 
Materials Research Bulletin 26 (1991) 901-908
Synthesis and characterization of cubic pyrochlore-type rubidium and
caesium tungstates with a lacunar host lattice
_cod_database_code 1004090
_database_code_amcsd 0014360
10.213 10.213 10.213 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Cs1  .375 .375 .375
W1      0    0    0  .8
O1   .315 .125 .125
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Bi Na3 O8 P2
 
Mairesse G, Drache M, Nowogrocki G, Abraham F
 
Phase Transition 27 (1990) 91-105
Order-disorder transition in Na3Bi(PO4)2
_cod_database_code 1004091
_database_code_amcsd 0014941
19.86 5.353 13.96 90 110.64 90 P2_1/c
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .61841 .20700 .04345  .0078  .0095  .0072 -.0008  .0024 -.0008
Bi2  .12003 .19194 .07593  .0070  .0092  .0079 -.0008  .0018  .0002
P1    .7082  .7775  .7126  .0054  .0061  .0073  .0000  .0011  .0001
P2    .0400  .7705  .6222  .0046  .0058  .0088 -.0009  .0022 -.0009
P3    .4617  .2352  .5826  .0066  .0055  .0076 -.0010  .0017 -.0001
P4    .2086  .7733  .4965  .0044  .0066  .0085 -.0001  .0014  .0006
Na1   .8010  .2073  .2464   .012   .016   .017   .001   .005   .001
Na2   .5354  .7546  .1916   .013   .019   .013  -.002   .006  -.001
Na3   .8631  .7452  .1691   .013   .019   .014   .003   .008   .003
Na4   .9642  .2455  .1551   .012   .019   .015  -.004   .004   .000
Na5   .3023  .2531  .0524   .011   .018   .017   .004   .003  -.001
Na6   .3610  .7488  .1942   .014   .020   .010  -.002   .000  -.004
O1    .6623  .6744  .7693   .011   .024   .018  -.004   .005   .003
O2    .6955  .0595  .6909   .013   .008   .016   .001  -.003   .001
O3    .6944  .6337  .6118   .015   .015   .015   .000   .001  -.005
O4    .7897  .7340  .7746   .005   .015   .014   .002   .000  -.002
O5    .0866  .5464  .6843   .014   .006   .013   .002   .002   .002
O6    .0807  .0118  .6694   .013   .006   .014   .000  -.003   .000
O7    .0325  .7401  .5104   .018   .012   .014   .000   .004   .001
O8   -.0315  .7658  .6396   .007   .021   .022   .002   .007  -.001
O9    .5336  .2339  .6714   .008   .019   .018   .001  -.003  -.003
O10   .4175  .4649  .5991   .013   .006   .010   .003   .004   .002
O11   .4191 -.0004  .5894   .015   .007   .020  -.002   .009  -.002
O12   .4688  .2576  .4781   .017   .012   .018  -.001   .007   .003
O13   .1987  .6366  .5884   .019   .016   .014  -.004   .005   .005
O14   .2906  .7521  .5164   .006   .023   .015   .001   .005  -.004
O15   .1912  .0530  .4973   .015   .007   .022   .002   .006   .003
O16   .1625  .6558  .3965   .007   .020   .013  -.003   .001  -.007
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Bi Na3 O8 P2
 
Mairesse G, Drache M, Nowogrocki G, Abraham F
 
Phase Transition 27 (1990) 91-105
Order-disorder transition in Na3Bi(PO4)2
_cod_database_code 1004092
_database_code_amcsd 0014942
18.71 7.18 5.429 90 90. 90 Pnam
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .11815 .03270    .25      .0412  .0272  .0687  .0018      0      0
P1    .2913  .2866    .25       .022   .030   .040  -.002      0      0
P2    .4621  .7070    .25       .025   .028   .030  -.001      0      0
Na1   .4609  .1606    .25       .062   .053   .081  -.006      0      0
Na2   .1365  .5266    .25       .061   .044   .107   .019      0      0
Na3   .2993  .8049    .25       .044   .084   .078  -.001      0      0
O1    .4206  .7709  .0230       .061   .056   .033   .014  -.011   .001
O2    .4673  .4953    .25       .103   .042   .077  -.002      0      0
O3    .5354  .7921    .25       .041   .074   .106  -.033      0      0
O4    .2101  .2474    .25       .023   .047    .08  -.004      0      0
O5    .3112  .3230 -.0245  .5   .067   .080   .066  -.029   .028   .001
O6    .3036  .4564  .1044  .5   .093   .079   .092  -.008  -.004   .050
O7    .3338   .130  .1619  .5   .047   .072   .075   .011   .008  -.034
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Bi1.9 O5.3 Pb0.2 V0.9
 
Vannier R, Mairesse G, Nowogrocki G, Abraham F, Boivin J
 
Solid State Ionics 53 (1992) 713-722
Electrical and structural investigations on a new bismuth lead vanadium
oxide solid electrolyte
_cod_database_code 1004097
_database_code_amcsd 0015510
3.965 3.965 15.46 90 90 90 I4/mmm
atom    x    y     z   occ
Bi1  .037 .037 .1634 .1188
Pb1  .037 .037 .1634 .0063
Bi2     0    0 .1763  .475
Pb2     0    0 .1763  .025
V1   .061    0 .5109 .1125
Pb3  .061    0 .5109 .0125
O1      0   .5   .25
O2   .165    0  .408   .25
O3   .414    0     0  .325
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