American Mineralogist Crystal Structure Database

104 matching records for this search.

K3Nb3B2O12
 
Choisnet J, Groult D, Raveau B, Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=1841
Acta Crystallographica B33 (1977) 1841-1845
Nouvelles structures a tunnels de section pentagonale
K3Nb3B2O12 et K3Ta3B2O12
_cod_database_code 1001007
_database_code_amcsd 0009592
8.753 8.753 3.966 90 90 120 P31m
atom     x     y      z
K1   .5964     0  .4989
Nb1  .2463     0      0
O1   .8179     0 -.0076
O2   .2606     0  .4930
O3   .5030 .1854 -.0169
B1     1/3   2/3 -.0188
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K3Nb3B2O12
 
Choisnet J, Groult D, Raveau B, Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=33&spage=1841
Acta Crystallographica B33 (1977) 1841-1845
Nouvelles structures a tunnels de section pentagonale
K3Nb3B2O12 et K3Ta3B2O12
_cod_database_code 1001008
_database_code_amcsd 0009593
34.01 34.01 3.966 90 90 120 P31m
atom     x     y      z
K1   .1489     0  .4596
K2   .3983     0  .4585
K3   .6490     0  .4493
K4   .8996     0  .4687
K5   .1482 .2480  .4583
K6   .1492    .5  .4641
K7   .1502 .7523  .4543
K8   .1013 .3500  .4523
K9   .1003 .6009  .4583
K10  .3523 .6007  .4723
Nb1  .0617     0      0
Nb2  .3110     0 -.0738
Nb3  .5612     0 -.0664
Nb4  .8126     0 -.0140
Nb5  .0609 .2498 -.0648
Nb6  .0611 .4990 -.0277
Nb7  .0622 .7508 -.0733
Nb8  .1873 .4381 -.0676
Nb9  .1888 .6883 -.0204
Nb10 .4389 .6888  .0071
O1   .2053     0 -.0004
O2   .4537     0 -.0409
O3   .7067     0 -.0904
O4   .9546     0 -.0630
O5   .2032 .2468  .0021
O6   .2056 .4999 -.0313
O7   .2039 .7501 -.0425
O8   .0457 .2935 -.0372
O9   .0461 .5471 -.0489
O10  .2961 .5458 -.0668
O11  .0606     0  .4316
O12  .3100     0  .4544
O13  .5673     0  .4816
O14  .8166     0  .4672
O15  .0610 .2439  .4667
O16  .0644 .4970  .4528
O17  .0644 .7541  .4809
O18  .1848 .4305  .4519
O19  .1839 .6827  .4512
O20  .4341 .6811  .4512
O21  .1255 .0465 -.0867
O22  .1255 .2960 -.0151
O23  .1251 .5465 -.0364
O24  .1256 .7934 -.0691
O25  .3771 .0489 -.0044
O26  .3771 .2968  .0015
O27  .3751 .5475 -.0540
O28   .376 .7952 -.0674
O29  .6277 .0473 -.0204
O30  .6254 .2963 -.0015
O31  .6244 .5461 -.0191
O32  .6262 .7974 -.0847
O33  .8771 .0470 -.0385
O34  .8763 .2959 -.0374
O35  .8750 .5466 -.0568
O36  .2015 .0784 -.0725
B1     1/3   2/3 -.0142
B2   .0831 .1673 -.0496
B3   .0821 .4166 -.0269
B4   .1678 .3359 -.0386
B5   .1674 .5845 -.0540
B6   .0822 .6654 -.0115
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P4W24O80
 
Roussel P, Mather G, Domenges B, Groult D, Labbe P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=54&spage=365
Acta Crystallographica B54 (1998) 365-375
Structural investigation of P4W24O80: A new monophosphate tungsten bronze
_cod_database_code 1001821
_database_code_amcsd 0009905
5.312 6.5557 42.196 90 90 90 P2_12_12_1
atom     x     y      z U(1,1) U(2,2)  U(3,3) U(1,2)  U(1,3)  U(2,3)
W1   .2431 .4272 .69885  .0084  .0081 .005773  .0055  -.0043 -.00256
W2    .251 .0996 .62523  .0092  .0075 .007036  .0045  -.0056 -.00156
W3   .2526 .7578 .55324  .0110  .0099 .008389  -.002   .0042 -.00233
W4   .2622 .4137 .48215  .0051  .0115 .008840  .0011 -.00503 -.00196
W5   .7626 .4299 .58941  .0099  .0088 .007397 -.0026  .00597 -.00101
W6   .7592 .7693 .66258  .0093  .0066 .006494 -.0027   .0019 -.00130
P1    .762 .1144  .7243
O1     .73  .058  .7590
O2    .547  .263  .7170
O3    .025  .211  .7193
O4   -.022  .566  .6888
O5    .477  .609  .6837
O6     .26  .258  .6649
O7    .537  .946  .6466
O8    .038  .902  .6487
O9    .469  .269  .6064
O10  -.036  .244  .6166
O11   .269 -.066  .5920
O12   .547  .626  .5735
O13   .043  .564  .5744
O14   .475  .935  .5321
O15  -.037  .898  .5412
O16   .233  .591  .5181
O17   .542  .281  .4988
O18   .772  .256  .5556
O19   .778  .582  .6302
O20   .726 -.086  .7044
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Na1.5 O32 P4 W8
 
Benmmoussa A, Groult D, Labbe P, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=40&spage=573
Acta Crystallographica C40 (1984) 573-576
Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten
Bronzes Nax P4 O8 (W O3)2m: Nax P4 W8 O32 (m=4) and
Nax P4 W12 O44 (m=6)
_cod_database_code 1001271
_database_code_amcsd 0009990
17.788 5.277 6.607 90 99.64 90 P2_1/a
atom      x      y      z  occ U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
W1   .20591 .26064 .14025      .00490 .00446 .00419 .00002 -.00010  .00008
W2   .37481 .25849 .56011      .00476 .00383 .00422 .00011  .00011 -.00019
P1    .0634  .2740  .7142
O1    .1105   .245  .9308
O2    .0846   .067  .5751
O3    .4266  .0416  .3689
O4    .4794  .2684  .7410
O5    .1505  .4829  .3021
O6    .1619 -.0241  .2642
O7    .2893  .2618  .3620
O8    .2572  .0384  .9850
Na1    .008   .225   .139 .375
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Na1.7 O44 P4 W12
 
Benmmoussa A, Groult D, Labbe P, Raveau B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=40&spage=573
Acta Crystallographica C40 (1984) 573-576
Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten
Bronzes Nax P4 O8 (W O3)2m: Nax P4 W8 O32 (m=4) and
Nax P4 W12 O44 (m=6)
_cod_database_code 1001272
_database_code_amcsd 0009991
23.775 5.291 6.588 90 93.47 90 P2_1/a
atom      x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
W1   .27960 .24069 .67190      .00403 .00356 .00407  .00015  .00013 -.00040
W2   .40705 .24121 .35909      .00349 .00354 .00300 -.00005 -.00007 -.00007
W3   .15480 .23644 .99311      .00360 .00334 .00335 -.00008  .00042 -.00012
P1   .04687  .2256  .3261
O1    .2541  .5255   .530
O2    .3468  .2308   .510
O3    .3221  .4535   .866
O4    .3116  .9548   .823
O5    .0819   .259   .140
O6    .4464  .4588   .589
O7    .4393 -.0667   .514
O8    .2151  .2395   .828
O9    .1103  .0219   .789
O10   .1190  .5226   .836
O11   .4852  .2318   .248
Na1   .5086   .215   .862 .425
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Co O3.111 Sr0.9999 Tl0.41
 
Boullay P, Domenges B, Hervieu M, Groult D, Raveau B
 
Chemistry of Materials 8 (1996) 1482-1489
Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2
_cod_database_code 1001719
_database_code_amcsd 0012211
4.95 25.18999 11.66 90 97.76 90 Cm
atom    x     y   z  occ
Sr1  .025     0 .89   .9
Sr2  .025    .2 .89   .9
Sr3  .025    .4 .89   .9
Sr4  .025    .5 .11   .9
Sr5  .025    .7 .11   .9
Sr6  .025    .9 .11   .9
Co1     0     0  .5
Co2     0  .111  .5
Co3     0  .222  .5
Co4     0  .333  .5
Co5     0  .444  .5
Tl1    .4     0 .71 .615
Tl2    .4  .222 .71 .615
Tl3   .45    .5 .28 .615
Tl4   .45 .7225 .28 .615
O1    .02     0 .11
O2    .02    .2 .11
O3    .02    .4 .11
O4    .02    .5 .89
O5    .02    .7 .89
O6    .02    .9 .89
O7     .3     0  .4
O8     .3  .111  .4
O9     .3  .222  .4
O10    .3  .333  .4
O11    .3  .444  .4
O12    .2 .0555  .6
O13    .2 .1665  .6
O14    .2 .2775  .6
O15    .2 .3885  .6
O16    .2    .5  .6
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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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Cd0.33 Cu2.11 O7 Pb0.56 Sr2.09 Y0.91
 
Ledesert M, Labbe P, Groult D, Daniel P, Hervieu M, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 357-367
The crystal structure of the cadmium derivative 1212 lead cuprate (Pb,
Cd)Sr2YCu2O7
_cod_database_code 1001518
_database_code_amcsd 0012568
3.8108 3.8108 11.927 90 90 90 P4/mmm
atom   x    y     z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1    0    0     0   .56  .0405  .0405  .0073      0      0      0
Cd1    0    0     0   .26  .0405  .0405  .0073      0      0      0
Y1    .5   .5    .5   .91  .0061  .0061  .0115      0      0      0
Sr1   .5   .5    .5   .09  .0061  .0061  .0115      0      0      0
Sr2   .5   .5 .2091        .0125  .0125  .0139      0      0      0
Cu1    0    0 .3614        .0046  .0046  .0128      0      0      0
O1     0   .5 .3782         .012   .003   .024      0      0      0
O2     0    0  .168         .017   .017   .025      0      0      0
O3   .36   .5     0   .25    .08    .03    .03      0      0      0
Cd2    0 .190     0 .0175
Cu2    0 .190     0 .0275
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Fe2 O9 Sr4 Tl0.965
 
Daniel P, Barbey L, Groult D, Nguyen N, Van Tendeloo G, Raveau B
 
European Journal of Solid State and Inorganic Chemistry 31 (1994) 235-244
Mixed valent iron oxides with the 0201-1201 intergrowth structure:
(Pb1-x Tlx) Sr4 Fe2 O9 (0
_cod_database_code 1001629
_database_code_amcsd 0012587
3.8048 3.8048 30.46799 90 90 90 I4/mmm
atom    x  y     z   occ
Tl1  .083  0     0 .2412
Sr1    .5 .5 .0829
Sr2    .5 .5 .2049
Fe1     0  0 .1490
O1   .137  0    .5   .25
O2      0  0 .0684
O3     .5  0 .1431
O4      0  0 .2144
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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
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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段ons bivalents synthetises par
echanges d段ons
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段ons bivalents synthetises par
echanges d段ons
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段ons bivalents synthetises par
echanges d段ons
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段ons bivalents synthetises par
echanges d段ons
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段ons bivalents synthetises par
echanges d段ons
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段ons bivalents synthetises par
echanges d段ons
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段ons bivalents synthetises par
echanges d段ons
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段ons bivalents synthetises par
echanges d段ons
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段ons bivalents synthetises par
echanges d段ons
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
Download hom/pyrochlore.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
_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
Download hom/microlite.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
_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
Download hom/bariomicrolite.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
_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
Download hom/bariopyrochlore.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
_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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Fe2 O8 Sr3 Tl0.95
 
Daniel P, Barbey L, Nguyen N, Ducouret A, Groult D, Raveau B
 
Journal of Physics and Chemistry of Solids 55 (1994) 795-802
New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8
_cod_database_code 1001672
_database_code_amcsd 0013242
3.811 3.811 12.780 90 90 90 P4/mmm
atom    x  y     z   occ
Tl1  .064  0     0 .2375
Sr1    .5 .5    .5
Sr2    .5 .5 .1948
Fe1     0  0 .3453
O1   .362 .5     0   .25
O2      0  0  .173
O3      0  0    .5
O4      0 .5 .3364
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Fe2 O8 Pb0.485 Sr3 Tl0.485
 
Daniel P, Barbey L, Nguyen N, Ducouret A, Groult D, Raveau B
 
Journal of Physics and Chemistry of Solids 55 (1994) 795-802
New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8
_cod_database_code 1001673
_database_code_amcsd 0013243
3.8180 3.8180 12.834 90 90 90 P4/mmm
atom    x  y     z   occ
Tl1  .064  0     0 .1213
Pb1  .064  0     0 .1213
Sr1    .5 .5    .5
Sr2    .5 .5 .1989
Fe1     0  0 .3516
O1   .389 .5     0   .25
O2      0  0 .1679
O3      0  0    .5
O4      0 .5 .3342
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Bi2 Fe2 O11 Sr2.591
 
Perez O, Leligny H, Grebille D, Labbe P, Groult D, Raveau B
 
Journal of Physics: Condensed Matter 7 (1995) 10003-10014
X-ray investigation of the incommensurate modulated structure of
Bi2+xSr3-xFe2O9+d
_cod_database_code 1001709
_database_code_amcsd 0013280
5.488 5.475 31.50899 90 90 90 Fmmm
atom     x   y     z   occ
Bi1  .0221   0 .2028    .5
Sr1     .5   0 .1176 .7955
Sr2     .5   0     0
Fe1      0   0 .0607
O1     .25 .25 .0668
O2       0   0 .1389
O3       0   0     0
O4   .6917   0 .1973
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K3 Nb8 O21
 
Groult D, Chailleux J, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 19 (1976) 235-244
Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21
a structure en cages
_cod_database_code 1001027
_database_code_amcsd 0013335
9.153 9.153 12.066 90 90 120 P6_3/mcm
atom    x    y    z
K1   .598    0  .25
Nb1  .248    0 .099
Nb2   1/3  2/3    0
O1   .226    0  .25
O2   .792    0 .083
O3   .177 .494 .102
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K3 Nb7 O21 Ti
 
Groult D, Chailleux J, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 19 (1976) 235-244
Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21
a structure en cages
_cod_database_code 1001028
_database_code_amcsd 0013336
9.107 9.107 12.011 90 90 120 P6_3/mcm
atom    x    y    z  occ
K1   .590    0  .25
Nb1  .248    0 .096 .875
Ti1  .248    0 .096 .125
Nb2   1/3  2/3    0 .875
Ti2   1/3  2/3    0 .125
O1   .226    0  .25
O2   .794    0 .085
O3   .171 .495 .093
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Ba3 Nb4 O21 Ti4
 
Groult D, Chailleux J, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 19 (1976) 235-244
Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21
a structure en cages
_cod_database_code 1001029
_database_code_amcsd 0013337
9.040 9.040 11.767 90 90 120 P6_3/mcm
atom    x    y    z occ
Ba1  .596    0  .25
Nb1  .244    0 .093  .5
Ti1  .244    0 .093  .5
Nb2   1/3  2/3    0  .5
Ti2   1/3  2/3    0  .5
O1   .238    0  .25
O2   .795    0 .086
O3   .173 .507 .107
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Nb6 O18 Rb2 Ti
 
Desgardin G, Robert C, Groult D, Raveau B
 
Journal of Solid State Chemistry 22 (1977) 101-111
Une nouvelle famille structurale: les titanoniobates et
titanotantalates A2 Nb6 Ti O18 et  A2 Ta6 Ti O18
_cod_database_code 1001013
_database_code_amcsd 0013347
7.529 7.529 8.194 90 90 120 P-3m1
atom     x      y     z  occ
Rb1    1/3    2/3  .665
Nb1      0      0    .5 .857
Ti1      0      0    .5 .143
Nb2  .1696 -.1696 .1468 .857
Ti2  .1696 -.1696 .1468 .143
O1    .447  -.447  .155
O2    .854  -.854  .128
O3    .124  -.124  .358
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O18 Rb2 Ta6 Ti
 
Desgardin G, Robert C, Groult D, Raveau B
 
Journal of Solid State Chemistry 22 (1977) 101-111
Une nouvelle famille structurale: les titanoniobates et
titanotantalates A2 Nb6 Ti O18 et  A2 Ta6 Ti
O18
_cod_database_code 1001014
_database_code_amcsd 0013348
7.512 7.512 8.231 90 90 120 P-3m1
atom     x      y     z  occ
Rb1    1/3    2/3  .650
Ta1      0      0    .5 .857
Ti1      0      0    .5 .143
Ta2  .1702 -.1702 .1481 .857
Ti2  .1702 -.1702 .1481 .143
O1    .447  -.447   1/6
O2    .860  -.860  .110
O3    .130  -.130  .353
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Cs2Nb6TiO18
 
Desgardin G, Robert C, Groult D, Raveau B
 
Journal of Solid State Chemistry 22 (1977) 101-111
Une nouvelle famille structurale: les titanoniobates et
titanotantalates A2Nb6TiO18 et A2Ta6TiO18
_cod_database_code 1001015
_database_code_amcsd 0013349
7.533 7.533 8.189 90 90 120 P-3m1
atom     x      y     z  occ
Cs1    1/3    2/3  .632
Nb1      0      0    .5 .857
Ti1      0      0    .5 .143
Nb2  .1700 -.1700 .1457 .857
Ti2  .1700 -.1700 .1457 .143
O1    .447  -.447  .160
O2    .861  -.861  .110
O3    .120  -.120  .370
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Cs2Ta6TiO18
 
Desgardin G, Robert C, Groult D, Raveau B
 
Journal of Solid State Chemistry 22 (1977) 101-111
Une nouvelle famille structurale: les titanoniobates et
titanotantalates A2Nb6TiO18 et A2Ta6TiO18
_cod_database_code 1001016
_database_code_amcsd 0013350
7.513 7.513 8.227 90 90 120 P-3m1
atom     x      y     z  occ
Cs1    1/3    2/3  .628
Ta1      0      0    .5 .857
Ti1      0      0    .5 .143
Ta2  .1683 -.1683 .1503 .857
Ti2  .1683 -.1683 .1503 .143
O1    .447  -.447  .157
O2    .861  -.861  .115
O3    .130  -.130  .359
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K0.8 Mg0.4 O4 Ti1.6
 
Groult D, Mercey C, Raveau B
 
Journal of Solid State Chemistry 32 (1980) 289-296
Nouveaux oxydes a structure en feuillets: Les titanates de potassium
non-stoechiometriques KX (MY Ti2-Y) O4
_cod_database_code 1001129
_database_code_amcsd 0013383
3.8207 15.641 2.9814 90 90 90 Cmc2_1
atom x     y    z occ
K1   0 .0014 .243  .4
Mg1  0 .3136 .639  .2
Ti1  0 .3136 .639  .8
O1   0 .2178 .148
O2   0 .3835 .096
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K0.8 O4 Ti1.6 Zn0.4
 
Groult D, Mercey C, Raveau B
 
Journal of Solid State Chemistry 32 (1980) 289-296
Nouveaux oxydes a structure en feuillets: Les titanates de potassium
non-stoechiometriques KX (MY Ti2-Y) O4
_cod_database_code 1001130
_database_code_amcsd 0013384
3.8064 15.692 2.9850 90 90 90 Cmc2_1
atom x     y    z occ
K1   0 .0015 .244  .4
Zn1  0 .3145 .628  .2
Ti1  0 .3145 .628  .8
O1   0 .2178 .157
O2   0 .3836 .092
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Cu3 O21 Rb Ta7
 
Benmoussa A, Groult D, Studer F, Raveau B
 
Journal of Solid State Chemistry 41 (1982) 221-226
Intergrowth of Hexagonal Tungsten Bronze and Perovskite-like
Structures: The Oxides A Cu3 M7 O21 (A = K, Rb, Cs, Tl; M = Nb, Ta)
_cod_database_code 1001218
_database_code_amcsd 0013465
28.11 7.503 7.548 90 90 90 Cmmm
atom     x     y    z occ
Rb1      0     0    0
Rb2      0     0   .5
Cu1   .173     0   .5
Cu2   .321     0   .5  .5
Cu3   .318     0    0
Cu4   .183     0    0  .5
Ta1      0    .5 .244
Ta2  .1131 .2477 .255
Ta3    .25   .25 .252
O1    .088     0 .248
O2    .274     0 .220
O3    .366     0 .202
O4    .179  .164 .280
O5    .046  .304 .280
O6    .124  .322   .5
O7    .128  .187    0
O8    .236  .323   .5  .5
O9    .238  .186    0  .5
O10     .5     0   .5
O11     .5     0    0
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TaWO5.5
 
Groult D, Pannetier, Raveau B
 
Journal of Solid State Chemistry 41 (1982) 277-285
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
H2Ta2O6, and HTaWO6*H2 O
_cod_database_code 1001211
_database_code_amcsd 0013466
10.4372 10.4372 10.4372 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z   occ
Ta1      0    0    0    .5
W1       0    0    0    .5
O1   .3089 .125 .125 .9167
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HTaWO6
 
Groult D, Pannetier, Raveau B
 
Journal of Solid State Chemistry 41 (1982) 277-285
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
H2Ta2O6, and HTaWO6*H2 O
_cod_database_code 1001212
_database_code_amcsd 0013467
10.4438 10.4438 10.4438 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z   occ
Ta1      0    0    0    .5
W1       0    0    0    .5
O1   .3096 .125 .125
H1    .406 .125 .125 .1667
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HTaWO6
 
Groult D, Pannetier, Raveau B
 
Journal of Solid State Chemistry 41 (1982) 277-285
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
H2Ta2O6, and HTaWO6*H2 O
_cod_database_code 1001213
_database_code_amcsd 0013468
10.4443 10.4443 10.4443 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z   occ
Ta1      0    0    0    .5
W1       0    0    0    .5
O1   .3094 .125 .125
H1    .395 .125 .125 .1667
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DTaWO6
 
Groult D, Pannetier, Raveau B
 
Journal of Solid State Chemistry 41 (1982) 277-285
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
H2Ta2O6, and HTaWO6*H2 O
_cod_database_code 1001214
_database_code_amcsd 0013469
10.4425 10.4425 10.4425 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z   occ
Ta1      0    0    0    .5
W1       0    0    0    .5
O1   .3093 .125 .125
D1    .418 .125 .125 .1667
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D1.8H0.2TaWO6
 
Groult D, Pannetier, Raveau B
 
Journal of Solid State Chemistry 41 (1982) 277-285
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
H2Ta2O6, and HTaWO6*H2 O
_cod_database_code 1001215
_database_code_amcsd 0013470
10.4421 10.4421 10.4421 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z   occ
Ta1      0    0    0    .5
W1       0    0    0    .5
O1   .3108 .125 .125
D1    .400 .125 .125 .1333
H1    .400 .125 .125 .0333
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H2Ta2O6
 
Groult D, Pannetier, Raveau B
 
Journal of Solid State Chemistry 41 (1982) 277-285
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
H2Ta2O6, and HTaWO6*H2 O
_cod_database_code 1001216
_database_code_amcsd 0013471
10.6032 10.6032 10.6032 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z   occ
Ta1      0    0    0
H1    .402 .125 .125 .3333
O1   .3109 .125 .125
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D1.4H1.6Ta2O6
 
Groult D, Pannetier, Raveau B
 
Journal of Solid State Chemistry 41 (1982) 277-285
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6,
H2Ta2O6, and HTaWO6*H2 O
_cod_database_code 1001217
_database_code_amcsd 0013472
10.6106 10.6106 10.6106 90 90 90 *Fd3m
.125 .125 .125
atom     x    y    z   occ
Ta1      0    0    0
D1    .391 .125 .125 .0667
H1    .391 .125 .125 .2667
O1   .3107 .125 .125
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O38 P4 W10
 
Benmoussa A, Labbe P, Groult D, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 318-325
Mixed Valence Tungsten Oxides with a Tunnel Structure,
P4W4nO12n+8: A Nonintegral Member P4 W10 O38 (n=2.5)
_cod_database_code 1001234
_database_code_amcsd 0013493
6.5656 5.2850 20.573 90 96.18 90 P2_1
atom      x      y      z
W1    .5392    .25 .10908
W2    .4714  .2585 .38890
W3    .1785  .2575 .53569
W4    .8898  .2587 .68304
W5    .1496  .2471 .96227
P1    .7874  .2596  .2641
P2    .7468  .2300  .8402
O1    .3552  .2311  .0349
O2    .7008  .2347  .1948
O3    .6067  .2413  .3080
O4    .3175  .2302  .4605
O5    .6850  .5154  .0854
O6    .7092  .0214  .0754
O7    .3580  .4722  .1547
O8    .3839  .9578  .1404
O9    .9355  .0437  .2805
O10   .9066  .5097  .2728
O11   .6254  .5303  .4208
O12   .6665  .0403  .4278
O13   .3123 -.0184  .3523
O14   .2600  .4809  .3420
O15   .9812  .4664  .4948
O16   .9565  .2383  .8802
O17   .7794  .2702  .7695
O18   .0332  .2546  .6131
O19  -.0067  .4641  .0041
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KCuTa3O9
 
Groult D, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 53 (1984) 184-192
A Pentagonal Tunnel Structure with Copper in Square Planar
Coordination: The Oxides KCuNb3O9 and KCuTa3O9
_cod_database_code 1001197
_database_code_amcsd 0013527
8.862 10.187 7.638 90 90 90 Pnc2
atom     x     y     z
K1    .081  .259  .255
Cu1     .5     0  .252
Cu2     .5     0  .752
Ta1  .4292  .252 -.003
Ta2  .8021 .4360 -.018
Ta3  .7991 .0613 -.012
O1       0     0     0
O2       0     0    .5
O3    .260  .118 -.031
O4    .259  .403  .061
O5    .575  .384  .058
O6    .576  .392  .461
O7    .875  .253  .006
O8    .406  .186  .258
O9    .171  .589  .249
O10   .271  .540  .757
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Ba2 Fe8 Ni3 O22 Sb2
 
Fuchs G, Nguyen N, Greneche J, Groult D, Raveau B
 
Journal of Solid State Chemistry 61 (1986) 223-229
Antiferromagnetic 6L-Hexagonal ferrites, Ba2Sb2M3Fe8O22 (M = Zn,Mg,Ni,Co)
_cod_database_code 1001674
_database_code_amcsd 0013568
5.882 5.882 14.237 90 90 120 P-3m1
atom    x    y    z occ
Ba1   1/3  2/3 .417
Fe1   1/3  2/3 .955
Ni1     0    0 .384
Sb1   1/3  2/3 .680 .66
Ni2   1/3  2/3 .680 .34
Sb2     0    0    0 .67
Ni3     0    0    0 .33
Fe2  .174 .348 .172
O1      0    0 .236
O2    1/3  2/3 .084
O3   .163 .326 .909
O4   .496 .992 .228
O5   .183 .366 .585
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O19 P5 Si V3
 
Leclaire A, Chahboun H, Groult D, Raveau B
 
Journal of Solid State Chemistry 65 (1986) 168-177
V3 P5 Si O19, a vanadosilicophospahte built up from V2 O9 octahedra
clusters
_cod_database_code 1001683
_database_code_amcsd 0013586
14.4671 14.4671 7.4605 90 90 120 P6_3
atom      x      y      z
V1    .3450  .3210 .05614
V2    .3393  .3248  .4445
P1    .2119  .4334  .2492
P2    .5163  .0961  .2608
P3    .2334  .0841  .2505
P4        0      0  .2911
Si1  -.3333    1/3  .2177
Si2     1/3 -.3333  .2975
O1    .3043  .2070  .2510
O2    .4599  .3974  .2532
O3    .2664  .3654  .2452
O4    .2449  .0415  .0741
O5    .2475  .0319  .4169
O6    .2672 -.1423  .0838
O7    .2688 -.1571  .4231
O8    .4587  .0742  .0866
O9    .4489  .0504  .4227
O10   .2449 -.3063  .2223
O11  -.4227  .2194  .2975
O12       0      0 -.0019
O13   .1185  .0677  .2527
O14  -.3333    1/3  .0080
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O5 P Ta
 
Chahboun H, Groult D, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 65 (1986) 331-342
beta Nb P O5 and beta Ta P O5: Bronzoids, second members of the
monophosphate tungsten bronze series (P O2)4 (W O3)2M
_cod_database_code 1001681
_database_code_amcsd 0013588
13.07 5.281 13.24 90 120.4 90 P2_1/c
atom     x    y     z
Ta1  .4323 .248 .3007
Ta2  .9389 .249 .1327
P1    .150  .25  .053
P2    .652  .25  .084
O1       0    0   .25
O2      .5   .5   .25
O3    .878    0  .016
O4    .878   .5  .018
O5    .378   .5  .377
O6    .377    0  .377
O7    .787  .25  .133
O8    .279  .25  .154
O9    .597  .25  .452
O10   .078  .25  .117
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K2 O17 P4 V3
 
Leclaire A, Chahboun H, Groult D, Raveau B
 
Journal of Solid State Chemistry 77 (1988) 170-179
Concerning the Intersecting Tunnel Structure of a Novel
Vanadyldiphosphate K2 (V O3) (P2 O7)2 and Its Structural
Relationships with Other V(V) and V(IV) Phosphates and Relatives
_cod_database_code 1001371
_database_code_amcsd 0013627
17.407 11.3438 7.2964 90 90 90 Pna2_1
atom      x      y      z
V1    .1005  .6612    .25
V2    .1901  .3392  .2692
V3    .0013  .0017  .0412
K1    .1728  .1371  .7612
K2    .3619  .0352  .2418
P1    .3247  .3886 -.0430
P2    .3285  .3916 -.4435
P3    .0297  .2898  .0511
P4    .0258  .2936  .4589
O1    .1534  .5488  .2773
O2    .1560  .7569  .4344
O3    .1436  .7662  .0641
O4    .0273  .6255 .46303
O5    .0177  .6289  .0933
O6    .1093  .3465  .0540
O7    .1092  .3299  .4523
O8    .2638  .4137  .4163
O9    .2216  .2074  .2410
O10   .2504  .4086  .0433
O11   .0327  .1702 -.0117
O12   .0071  .0095  .2699
O13  -.0181 -.1649  .0486
O14  -.1101  .0328  .0604
O15   .1112 -.0263  .0309
O16  -.0078  .2921  .2483
O17   .3022  .4297  -.237
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Ba0.92 Cu3 O8 Pb0.92 Sr1.15 Y1.15
 
Rouillon T, Retoux R, Groult D, Michel C, Hervieu M, Provost J, Raveau B
 
Journal of Solid State Chemistry 78 (1989) 322-325
PbBaYSrCu3O8: A New Member of the Intergrowth Family (ACuO3-x)m(A'O)n
_cod_database_code 1001403
_database_code_amcsd 0013644
3.842 3.842 27.66 90 90 90 I4/mmm
atom x  y    z  occ
Pb1  0  0 .290  .46
Ba1  0  0 .290  .46
Y1   0  0 .437 .575
Sr1  0  0 .437 .575
Cu1  0  0 .122
Cu2  0  0    0
O1   0 .5    0
O2   0  0   .2
O3   0 .5 .118
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Cu2 O6.6 Pb0.5 Sr2.5 Y
 
Rouillon T, Provost J, Hervieu M, Groult D, Michel C, Raveau B
 
Journal of Solid State Chemistry 84 (1990) 375-385
The solid solution Pb0.5Sr2.5Y1-xCaxCu2O7-d:
Superconductivity and structure
_cod_database_code 1001442
_database_code_amcsd 0013674
3.8253 3.8253 11.891 90 90 90 P4/mmm
atom  x  y     z occ
Pb1  .5 .5    .5  .5
Sr1  .5 .5    .5  .5
Sr2   0  0 .2891
Y1    0  0     0
Cu1  .5 .5 .1391
O1    0 .5 .1235
O2   .5 .5  .308  .8
O3    0  0    .5
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Ba0.93 Cu3.01 O7 Pb0.99 Sr1.07 Y
 
Rouillon T, Caignaert V, Hervieu M, Michel C, Groult D, Raveau B
 
Journal of Solid State Chemistry 97 (1992) 56-64
PbBaSrYCu3O7: a "0223" structure, intergrowth of single rock salt
layers and triple oxygen-deficient perovskite layers; X-ray, neutron
diffraction, and electron microscopy study
_cod_database_code 1001594
_database_code_amcsd 0013730
3.8432 3.8432 27.422 90 90 90 I4mm
atom    x  y      z occ
Cu1     0  0      0
Ba1    .5 .5  .0689 .66
Sr1    .5 .5  .0689 .34
Cu2     0  0  .1535
Pb1    .5 .5  .2143 .99
Cu3    .5 .5  .2143 .01
Ba2     0  0  .3109 .27
Sr2     0  0  .3109 .73
Cu4    .5 .5  .3797
Y1      0  0  .4398
O1      0 .5 -.0052
O2      0  0  .0932
O3   .143  0  .2153 .25
O4     .5 .5  .2924
O5      0 .5  .3922
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Ba Cu3 O7.01 Pb Sr Y
 
Rouillon T, Caignaert V, Hervieu M, Michel C, Groult D, Raveau B
 
Journal of Solid State Chemistry 97 (1992) 56-64
PbBaSrYCu3O7: a "0223" structure, intergrowth of single rock salt
layers and triple oxygen-deficient perovskite layers; X-ray, neutron
diffraction, and electron microscopy study
_cod_database_code 1001595
_database_code_amcsd 0013731
3.8436 3.8436 27.42599 90 90 90 I4mm
atom     x  y      z occ
Cu1      0  0      0
Ba1     .5 .5  .0704  .7
Sr1     .5 .5  .0704  .3
Cu2      0  0  .1533
Pb1     .5 .5  .2152
Ba2      0  0  .3119  .3
Sr2      0  0  .3119  .7
Cu3     .5 .5  .3789
Y1       0  0  .4395
O1       0 .5 -.0079
O2       0  0  .0874
O3   .1366  0  .2190 .25
O4      .5 .5  .2929
O5       0 .5  .3869
O6      .5 .5  .4395 .01
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Fe2 O9 Pb0.78 Sr4
 
Lucas S, Groult D, Nguyen N, Michel C, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 102 (1993) 20-30
Pb1-xSr4Fe2O9-d: a layered iron oxide intergrowth of 1201- and
0201-type structures
_cod_database_code 1001559
_database_code_amcsd 0013759
3.8349 3.8349 30.664 90 90 90 I4/mmm
atom    x  y     z   occ
Pb1  .060  0     0 .1962
Sr1    .5 .5 .0851
Sr2    .5 .5 .2054
Fe1     0  0 .1499
O1      0  0    .5
O2   .192  0 .0694   .25
O3     .5  0 .1441
O4      0  0 .2124
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Fe2 O9 Pb1.01 Sr4
 
Caignaert V, Daniel P, Nguyen N, Ducouret A, Groult D, Raveau B
 
Journal of Solid State Chemistry 112 (1994) 126-131
Structure refinement of the 0201-1201 intergrowth-type ferrite PbSr4Fe2O9:
powder neutron diffraction and Mossbauer spectroscopy studies
_cod_database_code 1001606
_database_code_amcsd 0013824
3.84845 3.84845 30.68379 90 90 90 I4/mmm
atom    x  y     z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1     0  0     0   .62
Pb2  .140  0     0 .0975
Sr1    .5 .5 .0855
Sr2    .5 .5 .2050
Fe1     0  0 .1512
O1   .141  0    .5   .25
O2      0  0 .0642        .0348  .0348  .0501      0      0      0
O3     .5  0 .1419
O4      0  0 .2145
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Fe2 Hg0.3 O9 Pr0.57 Sr4
 
Boullay P, Domenges B, Groult D, Raveau B
 
Journal of Solid State Chemistry 124 (1996) 1-7
A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9
_cod_database_code 1001740
_database_code_amcsd 0013892
3.8174 3.8138 30.33899 90 90 90 Immm
atom   x  y     z occ
Hg1    0  0     0 .30
Pr1    0  0     0 .57
Sr1   .5 .5 .0839
Sr2   .5 .5 .2054
Fe1    0  0 .1476
O1   .19  0    .5  .5
O2     0  0  .071
O3    .5  0 .1412
O4     0 .5 .1412
O5     0  0  .214
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Ba Fe2 Hg0.467 O8.75 Sr2 Tl1.402
 
Nguyen N, Groult D, Boullay P, Michel C, Raveau B
 
Journal of Solid State Chemistry 132 (1997) 308-314
New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0
the Tl-2212-type structure
_cod_database_code 1001812
_database_code_amcsd 0013937
3.8445 3.8445 30.09799 90 90 90 I4/mmm
atom   x  y     z  occ
Tl1    0  0 .2862 .701
Hg1    0  0 .2862 .234
Ba1    0  0 .1300  .30
Sr1    0  0 .1300  .70
Ba2    0  0     0  .40
Sr2    0  0     0  .60
Fe1    0  0 .4360
O1     0  0    .5
O2     0  0  .354
O3   .11  0  .221 .219
O4     0 .5 .4277
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Fe2 Hg0.4325 O9 Pb0.4325 Sr4
 
Nguyen N, Daniel P, Groult D, Raveau B, Greneche J
 
Materials Chemistry and Physics 45 (1996) 33-38
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with
the 0201 - 1201 intergrowth type structure
_cod_database_code 1001752
_database_code_amcsd 0014208
3.8056 3.8056 30.48199 90 90 90 I4/mmm
atom   x  y     z   occ
Pb1    0  0     0 .4325
Hg1    0  0     0 .4325
Sr1   .5 .5 .0837
Sr2   .5 .5 .2062
Fe1    0  0 .1507
O1   .29 .5     0   .25
O2     0  0  .069
O3    .5  0 .1483
O4     0  0  .212
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Cd0.395 Fe2 O9 Pb0.395 Sr4
 
Nguyen N, Daniel P, Groult D, Raveau B, Greneche J
 
Materials Chemistry and Physics 45 (1996) 33-38
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with
the 0201 - 1201 intergrowth type structure
_cod_database_code 1001753
_database_code_amcsd 0014209
3.8084 3.8084 30.45299 90 90 90 I4/mmm
atom    x  y     z  occ
Pb1     0  0     0 .215
Cd1     0  0     0 .215
Pb2  .102  0     0 .045
Cd2  .102  0     0 .045
Sr1    .5 .5 .0826
Sr2    .5 .5 .2052
Fe1     0  0 .1484
O1   .249 .5     0  .25
O2      0  0 .0687
O3     .5  0 .1447
O4      0  0  .212
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K O6 Sb W
 
Michel C, Groult D, Raveau B
 
Materials Research Bulletin 8 (1973) 201-210
Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl)
_cod_database_code 1001058
_database_code_amcsd 0014224
10.234 10.234 10.234 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
K1   .404 .404 .404 .25
Sb1     0    0    0  .5
W1      0    0    0  .5
O1    .32 .125 .125
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O6 Rb Sb W
 
Michel C, Groult D, Raveau B
 
Materials Research Bulletin 8 (1973) 201-210
Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl)
_cod_database_code 1001059
_database_code_amcsd 0014225
10.245 10.245 10.245 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Rb1  .394 .394 .394 .25
Sb1     0    0    0  .5
W1      0    0    0  .5
O1   .317 .125 .125
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Cs O6 Sb W
 
Michel C, Groult D, Raveau B
 
Materials Research Bulletin 8 (1973) 201-210
Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl)
_cod_database_code 1001060
_database_code_amcsd 0014226
10.279 10.279 10.279 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Cs1  .385 .385 .385 .25
Sb1     0    0    0  .5
W1      0    0    0  .5
O1   .322 .125 .125
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O6 Sb Tl W
 
Michel C, Groult D, Raveau B
 
Materials Research Bulletin 8 (1973) 201-210
Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl)
_cod_database_code 1001061
_database_code_amcsd 0014227
10.244 10.244 10.244 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z occ
Tl1  .403 .403 .403 .25
Sb1     0    0    0  .5
W1      0    0    0  .5
O1   .319 .125 .125
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Belkovite
Download hom/belkovite.pdf
Choisnet J, Nguyen N, Groult D, Raveau B
 
Materials Research Bulletin 11 (1976) 887-894
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7:
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)
Locality: synthetic
_database_code_amcsd 0014242
8.981 8.981 7.840 90 90 120 P-62m
atom    x    y    z Biso
Ba   .593    0   .5    0
Nb   .238    0 .239    0
Si    1/3  2/3 .203  .25
O1    1/3  2/3    0  .61
O2   .273    0    0  .69
O3   .819    0 .236  .74
O4   .489 .183 .284  .48
O5   .227    0   .5  .68
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Ba3Ta6Si4O26
 
Choisnet J, Nguyen N, Groult D, Raveau B
 
Materials Research Bulletin 11 (1976) 887-894
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7:
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)
_database_code_amcsd 0014243
9.001 9.001 7.734 90 90 120 P-62m
atom    x    y    z Biso
Ba   .595    0   .5 2.14
Ta   .242    0 .239  .80
Si    1/3  2/3 .207  .87
O1    1/3  2/3    0 1.55
O2   .314    0    0 1.27
O3   .809    0 .242 1.55
O4   .500 .174 .279  1.4
O5   .208    0   .5 1.62
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Sr3Ta6Si4O26
 
Choisnet J, Nguyen N, Groult D, Raveau B
 
Materials Research Bulletin 11 (1976) 887-894
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7:
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)
_database_code_amcsd 0014244
8.913 8.913 7.633 90 90 120 P-62m
atom    x    y    z Biso
Sr   .589    0   .5 1.18
Ta   .242    0 .241  .54
Si    1/3  2/3 .209 1.72
O1    1/3  2/3    0  .74
O2   .307    0    0 2.94
O3   .799    0 .246  .80
O4   .498 .169 .278  .70
O5   .212    0   .5 2.93
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K6Ta6Si4O26
 
Choisnet J, Nguyen N, Groult D, Raveau B
 
Materials Research Bulletin 11 (1976) 887-894
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7:
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)
_database_code_amcsd 0014245
9.066 9.066 7.873 90 90 120 P-62m
atom    x    y    z Biso
K1   .586    0   .5  .27
K2    .61    0    0  2.8
Ta   .239    0 .249  .90
Si    1/3  2/3 .208 1.25
O1    1/3  2/3    0  .60
O2   .262    0    0  .83
O3   .811    0 .260  .52
O4   .500 .176 .289  .88
O5   .242    0   .5  .73
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K6Nb6Si4O26
 
Choisnet J, Nguyen N, Groult D, Raveau B
 
Materials Research Bulletin 11 (1976) 887-894
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7:
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)
_database_code_amcsd 0014246
9.032 9.032 8.041 90 90 120 P-62m
atom    x    y    z Biso
K1   .591    0   .5 2.79
K2   .604    0    0  .73
Nb   .239    0 .234  .80
Si    1/3  2/3 .203 1.25
O1    1/3  2/3    0  .60
O2    .25    0    0  .10
O3   .816    0 .237  1.3
O4   .494 .176 .265  .10
O5   .268    0   .5 1.29
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Ba3 O26 Si4 Ta6
 
Choisnet J, Nguyen N, Groult D, Raveau B
 
Materials Research Bulletin 11 (1976) 887-894
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7:
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)
_cod_database_code 1001102
_database_code_amcsd 0014247
9.001 9.001 7.734 90 90 120 P-62m
atom    x    y    z
Ba1  .595    0   .5
Ta1  .242    0 .239
Si1   1/3  2/3 .207
O1    1/3  2/3    0
O2   .314    0    0
O3   .809    0 .242
O4     .5 .174 .279
O5   .208    0   .5
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O26 Si4 Sr3 Ta6
 
Choisnet J, Nguyen N, Groult D, Raveau B
 
Materials Research Bulletin 11 (1976) 887-894
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7:
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)
_cod_database_code 1001103
_database_code_amcsd 0014248
8.913 8.913 7.633 90 90 120 P-62m
atom    x    y    z   Uiso
Sr1  .589    0   .5 .01494
Ta1  .242    0 .241 .00684
Si1   1/3  2/3 .209 .02178
O1    1/3  2/3    0 .00937
O2   .307    0    0 .03724
O3   .799    0 .246 .01013
O4   .498 .169 .278 .00887
O5   .212    0   .5 .03711
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K6 O26 Si4 Ta6
 
Choisnet J, Nguyen N, Groult D, Raveau B
 
Materials Research Bulletin 11 (1976) 887-894
De nouveaux oxydes a reseau forme d'octaedres Nb O6 (Ta O6) et de
groupes Si2 O7: Les phases A3 Ta6 Si4 O26 (A= Ba, Sr) et
K6 M6 Si4 O26 (M= Nb, Ta)
_cod_database_code 1001104
_database_code_amcsd 0014249
9.066 9.066 7.873 90 90 120 P-62m
atom    x    y    z
K1   .586    0   .5
K2    .61    0    0
Ta1  .239    0 .249
Si1   1/3  2/3 .208
O1    1/3  2/3    0
O2   .262    0    0
O3   .811    0  .26
O4     .5 .176 .289
O5   .242    0   .5
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K6 Nb6 O26 Si4
 
Choisnet J, Nguyen N, Groult D, Raveau B
 
Materials Research Bulletin 11 (1976) 887-894
De nouveaux oxydes a reseau forme d'octaedres Nb O6 (Ta O6) et de
groupes Si2 O7: Les phases A3 Ta6 Si4 O26 (A= Ba, Sr) et
K6 M6 Si4 O26 (M= Nb, Ta)
_cod_database_code 1001105
_database_code_amcsd 0014250
9.032 9.032 8.041 90 90 120 P-62m
atom    x    y    z
K1   .591    0   .5
K2   .604    0    0
Nb1  .239    0 .234
Si1   1/3  2/3 .203
O1    1/3  2/3    0
O2    .25    0    0
O3   .816    0 .237
O4   .494 .176 .265
O5   .268    0   .5
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Ge4 K10 Nb22 O68
 
Choisnet J, Hervieu M, Groult D, Raveau B
 
Materials Research Bulletin 12 (1977) 621-627
Nouvelles phases multiples obtenues par intercroissance des reseaux
"M6X4O26" et "M8O21": les oxydes K10(M8O21)2*M6X4O26 (M=Nb,Ta)(X=Ge,Si)
_cod_database_code 1001276
_database_code_amcsd 0014256
9.112 9.112 20.01 90 90 120 P-62m
atom    x    y    z  occ
K1   .344    0    0 .833
K2   .598    0 .297 .833
K3   .547    0   .5 .833
Nb1  .744    0 .090
Nb2  .251    0 .215
Nb3  .234    0 .403
Nb4   1/3  2/3 .149
Ge1   1/3  2/3 .410
O1    .79    0    0
O2   .179    0 .106
O3   .822 .509 .092
O4   .182 .502 .209
O5   .795    0 .193
O6   .202    0 .310
O7   .206 .483 .367
O8   .252    0   .5
O9   .799    0 .412
O10   1/3  2/3   .5
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Ba3 O21 Sb4 Ti4
 
Saurel C, Groult D, Raveau B
 
Materials Research Bulletin 12 (1977) 629-635
Etude du comportement de l'antimoine V et du strontium dans les oxydes
a structure en cages du type A3 M8 O21
_cod_database_code 1001277
_database_code_amcsd 0014257
8.966 8.966 11.857 90 90 120 P6_3/mcm
atom    x    y    z   occ
Ba1  .604    0  .25
Ti1  .232    0 .100 .6667
Sb1  .232    0 .100 .3333
Sb2   1/3  2/3    0
O1   .238    0  .25
O2   .825    0 .086
O3   .181 .492 .110
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Nb4 O21 Sr3 Ti4
 
Saurel C, Groult D, Raveau B
 
Materials Research Bulletin 12 (1977) 629-635
Etude du comportement de l'antimoine V et du strontium dans les oxydes
a structure en cages du type A3 M8 O21
_cod_database_code 1001278
_database_code_amcsd 0014258
8.992 8.992 11.605 90 90 120 P6_3/mcm
atom    x   y     z occ
Sr1  .595   0   .25
Ti1  .244   0 .0929  .5
Nb1  .244   0 .0929  .5
Nb2   1/3 2/3     0  .5
Ti2   1/3 2/3     0  .5
O1   .247   0   .25
O2   .797   0  .078
O3   .170  .5  .112
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O21 Sr3 Ta4 Ti4
 
Saurel C, Groult D, Raveau B
 
Materials Research Bulletin 12 (1977) 629-635
Etude du comportement de l'antimoine V et du strontium dans les oxydes
a structure en cages du type A3 M8 O21
_cod_database_code 1001279
_database_code_amcsd 0014259
9.008 9.008 11.629 90 90 120 P6_3/mcm
atom    x    y    z   occ
Sr1  .597    0  .25
Ti1  .247    0 .092 .6667
Ta1  .247    0 .092 .3333
Ta2   1/3  2/3    0
O1   .191    0  .25
O2   .796    0 .079
O3    1/6 .506 .111
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Ba3 Li Nb3 O21 Ti5
 
Mercey C, Groult D, Raveau B
 
Materials Research Bulletin 13 (1978) 797-804
Insertion du lithium dans les oxydes de type A3 M8 O21: les
composes Li Ba M3 Ti5 O21
_cod_database_code 1001281
_database_code_amcsd 0014264
9.072 9.072 11.670 90 90 120 P6_3/mcm
atom    x    y    z occ
Li1     0    0  .25
Ba1  .596    0  .25
Ti1  .242    0 .094 .75
Nb1  .242    0 .094 .25
Ti2   1/3  2/3    0 .25
Nb2   1/3  2/3    0 .75
O1   .223    0  .25
O2   .786    0 .089
O3   .169 .483 .108
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Ba3 Li Nb3 O21 Ti5
 
Mercey C, Groult D, Raveau B
 
Materials Research Bulletin 13 (1978) 797-804
Insertion du lithium dans les oxydes de type A3 M8 O21: les
composes Li Ba M3 Ti5 O21
_cod_database_code 1001282
_database_code_amcsd 0014265
9.072 9.072 11.670 90 90 120 P6_3/mcm
atom    x    y    z occ
Li1     0    0  .25
Ba1  .597    0  .25
Ti1  .240    0 .097 .75
Nb1  .240    0 .097 .25
Ti2   1/3  2/3    0 .25
Nb2   1/3  2/3    0 .75
O1   .207    0  .25
O2   .789    0 .079
O3    1/6 .475 .102
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Ba3 Li O21 Ta3 Ti5
 
Mercey C, Groult D, Raveau B
 
Materials Research Bulletin 13 (1978) 797-804
Insertion du lithium dans les oxydes de type A3 M8 O21: les
composes Li Ba M3 Ti5 O21
_cod_database_code 1001283
_database_code_amcsd 0014266
9.062 9.062 11.679 90 90 120 P6_3/mcm
atom    x   y    z   occ
Li1     0   0  .25
Ba1  .596   0  .25
Ti1  .246   0 .093 .8333
Ta1  .246   0 .093 .1667
Ta2   1/3 2/3    0
O1   .220   0  .25
O2   .800   0 .089
O3   .172 .49 .106
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Ba3 Li O21 Sb3 Ti5
 
Mercey C, Groult D, Raveau B
 
Materials Research Bulletin 13 (1978) 797-804
Insertion du lithium dans les oxydes de type A3 M8 O21: les
composes Li Ba M3 Ti5 O21
_cod_database_code 1001284
_database_code_amcsd 0014267
8.978 8.978 11.815 90 90 120 P6_3/mcm
atom    x    y    z occ
Li1     0    0  .25
Ba1  .595    0  .25
Ti1  .246    0 .093 .75
Sb1  .246    0 .093 .25
Ti2   1/3  2/3    0 .25
Sb2   1/3  2/3    0 .75
O1   .218    0  .25
O2   .823    0 .086
O3   .179 .496 .098
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K Nb5 O25 Ti6
 
Groult D, Raveau B
 
Materials Research Bulletin 18 (1983) 141-146
K Ti6 Nb5 O25: A member of a series of chemically twinned Rutile
oxides (A M3 O9)(M2 O4)n
_cod_database_code 1001235
_database_code_amcsd 0014300
6.611 8.880 30.154 90 90 90 Cmcm
atom    x     y     z  occ
K1      0  .797   .25
Nb1     0    .5     0   .5
Ti1     0    .5     0   .5
Nb2     0  .686 .1093   .3
Ti2     0  .686 .1093   .7
Nb3     0  .895 .0359 .475
Ti3     0  .895 .0359 .525
Nb4     0  .419 .1863   .6
Ti4     0  .419 .1863   .4
Nb5     0  .288 .0808 .275
Ti5     0  .288 .0808 .725
Nb6     0 .0387 .1480   .6
Ti6     0 .0387 .1480   .4
O1      0  .423   .25
O2      0  .209 .1878
O3      0  .436 .1190
O4      0  .664 .1755
O5      0  .910  .103
O6      0  .691 .0372
O7      0  .110 .0266
O8   .311  .413 .1747
O9   .310  .683 .1135
O10  .305  .878 .0370
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Ba Nb4 O17 Ti3
 
Mezaoui D, Michel C, Groult D, Raveau B
 
Materials Research Bulletin 21 (1986) 1039-1044
A M3 O9 (M2 O4)n: A series of oxides derived from the rutile
structure by chemical twinning
_cod_database_code 1001353
_database_code_amcsd 0014320
6.639 8.957 21.145 90 90 90 Cmcm
atom    x     y     z  occ
Ba1     0 .9807   .25
Ti1     0 .1026 .0568   .6
Nb1     0 .1026 .0568   .4
Ti2     0 .3446 .3404 .225
Nb2     0 .3446 .3404 .775
Ti3     0 .7359 .3878   .3
Nb3     0 .7359 .3878   .7
Ti4     0    .5    .5  .75
Nb4     0    .5    .5  .25
O1      0  .546 .3365
O2      0  .304   .25
O3      0  .315 .4549
O4      0  .889 .4539
O5      0  .120 .3570
O6   .195  .197 .6571
O7   .280  .096 .4562
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O5 Ta V
 
Chahboun H, Groult D, Raveau B
 
Materials Research Bulletin 23 (1988) 805-812
Ta V O5, a novel derivative of the series of monophosphate tungsten
bronzes (P O2)4 (W O3)2m
_cod_database_code 1001386
_database_code_amcsd 0014331
11.860 5.516 6.928 90 90 90 Pnma
atom     x    y    z
Ta1  .0610  .25 .343
V1    .339  .25 .543
O1       0    0   .5
O2    .119 .010 .132
O3    .203  .25 .464
O4    .418  .25 .338
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Ba2 Ca1.07 Cu2 O8 Tl1.93
 
Maignan A, Michel C, Hervieu M, Martin C, Groult D, Raveau B
 
Modern Physics Letters B 2 (1988) 681-687
Tl2Ba2CaCu2O8: structure and superconductivity
_cod_database_code 1001420
_database_code_amcsd 0014653
3.86 3.86 29.388 90 90 90 I4/mmm
atom  x  y     z occ
Tl1  .5 .5 .2147  .9
Ca1  .5 .5 .2147  .1
Ba1   0  0 .1220
Ca2   0  0     0 .87
Tl2   0  0     0 .13
Cu1  .5 .5 .0558
O1    0 .5  .053
O2   .5 .5  .145
O3   .5 .5  .297
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Fe2 O8 Pb0.5 Sr3 Tl0.5
 
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B
 
Physica B 228 (1996) 251-260
Neutron diffraction and Mossbauer spectroscopy studies of the mixed
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8
_cod_database_code 1001757
_database_code_amcsd 0015006
3.81474 3.81474 12.8293 90 90 90 P4/mmm
atom     x  y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl1  .0763  0     0 .125
Pb1      0  0     0   .5
Sr1     .5 .5    .5
Sr2     .5 .5 .2004
Fe1      0  0 .3500
O1   .3860 .5     0  .25
O2       0  0 .1559        .016   .016   .024      0      0      0
O3       0  0    .5
O4       0 .5 .3356
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Fe2 O8 Pb0.5 Sr3 Tl0.5
 
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B
 
Physica B 228 (1996) 251-260
Neutron diffraction and Mossbauer spectroscopy studies of the mixed
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8
_cod_database_code 1001758
_database_code_amcsd 0015007
3.81002 3.81002 12.7964 90 90 90 P4/mmm
atom     x  y     z  occ
Tl1  .0780  0     0 .125
Pb1      0  0     0   .5
Sr1     .5 .5    .5
Sr2     .5 .5 .2009
Fe1      0  0 .3500
O1   .3806 .5     0  .25
O2       0  0 .1629 .480
O3       0  0 .1507 .520
O4       0  0    .5
O5       0 .5 .3359
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Ca0.5 Cu2 O6.3 Pb0.46 Sr2.46 Y0.5
 
Rouillon T, Provost J, Hervieu M, Groult D, Michel C, Raveau B
 
Physica C 159 (1989) 201-209
Superconductivity up to 100 K in lead cuprates: A new superconductor
Pb.5 Sr2.5 Y.5 Ca.5 Cu2 O7-delta
_cod_database_code 1001412
_database_code_amcsd 0015015
3.817 3.817 11.907 90 90 90 P4/mmm
atom  x  y     z occ
Pb1  .5 .5    .5 .46
Sr1  .5 .5    .5 .46
Sr2   0  0 .2890
Y1    0  0     0  .5
Ca1   0  0     0  .5
Cu1  .5 .5 .1362
O1    0 .5  .127
O2   .5 .5  .318 .65
O3    0  0    .5
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Ce Cu3 Nd O10.2 Pb2 Sr2
 
Rouillon T, Groult D, Hervieu M, Michel C, Raveau B
 
Physica C 167 (1990) 107-111
Pb2Sr2LnCeCu3O10 delta, a new member of the layeredcuprates
family, built up from double fluorite-type layers
_cod_database_code 1001458
_database_code_amcsd 0015018
5.442 5.462 36.90 90 90 90 Fmmm
atom   x   y     z occ
Pb1    0   0 .0478
Sr1    0   0  .382
Nd1    0   0 .2831  .5
Ce1    0   0 .2831  .5
Cu1    0   0    .5
Cu2    0   0  .164
O1     0   0     0  .2
O2     0   0  .449
O3     0   0 .1033
O4   .75 .25  .323
O5   .25 .25   .25
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Na2 O6 Ta2
 
Michel C, Groult D, Chailleux J, Raveau B
 
Revue de Chimie Minerale 13 (1976) 283-289
Sur de nouveaux pyrochlores lacunaires riches en sodium Na1+a Ta1+a
W1-a O6 synthetises par echange carionique en phase solide
_cod_database_code 1001030
_database_code_amcsd 0015376
10.442 10.442 10.442 90 90 90 *Fd3m
.125 .125 .125
atom    x    y    z  occ
Na1    .5   .5   .5  .87
Ta1    .5   .5   .5  .13
Na2     0    0    0  .13
Ta2     0    0    0  .87
O1   .322 .125 .125 .913
O2   .375 .375 .375  .52
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K3 O21 Ta7 Ti
 
Groult D, Chailleux J, Raveau B, Deschanvres A
 
Revue de Chimie Minerale 14 (1977) 1-10
Nouveaux tantalates A3 (Ta8-x Mx) O21 a structure en cages
_cod_database_code 1001298
_database_code_amcsd 0015377
9.086 9.086 12.054 90 90 120 P6_3/mcm
atom    x    y    z   occ
K1   .592    0  .25
Ta1  .246    0 .096 .8333
Ti1  .246    0 .096 .1667
Ta2   1/3  2/3    0
O1   .218    0  .25
O2   .792    0  .09
O3    .17 .494 .095
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Fe0.5 K3 O21 Ta7.5
 
Groult D, Chailleux J, Raveau B, Deschanvres A
 
Revue de Chimie Minerale 14 (1977) 1-10
Nouveaux tantalates A3 (Ta8-x Mx) O21 a structure en cages
_cod_database_code 1001299
_database_code_amcsd 0015378
9.12 9.12 12.086 90 90 120 P6_3/mcm
atom    x    y    z   occ
K1   .598    0  .25
Ta1  .248    0 .096 .9167
Fe1  .248    0 .096 .0833
Ta2   1/3  2/3    0
O1   .224    0  .25
O2   .792    0 .089
O3   .174 .497 .095
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