American Mineralogist Crystal Structure Database

124 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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Ca0.5 Fe1.5 Li0.5 O4 Sn0.5
 
Archaimbault F, Choisnet J, Hervieu M, Raveau B
 
Annales de Chimie 12 (1987) 23-32
De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe2 O4:
Les Oxydes Ca1-x Lix (Fe2-x Sn x) O4 (0 < x <=0.60)
_cod_database_code 1001437
_database_code_amcsd 0012023
9.285 10.869 3.020 90 90 90 Pnam
atom     x     y   z occ
Ca1   .774  .667 .25  .5
Li1   .774  .667 .25  .5
Fe1  .4363 .6085 .25 .75
Sn1  .4363 .6085 .25 .25
Fe2  .4105 .1051 .25 .75
Sn2  .4105 .1051 .25 .25
O1    .214  .167 .25
O2    .129  .458 .25
O3    .514  .785 .25
O4    .419  .425 .25
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O4 Sn Zn2
 
Choisnet J, Deschanvres A, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4.
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4
_cod_database_code 1001187
_database_code_amcsd 0012266
8.65 8.65 8.65 90 90 90 Fd3m
atom    x    y    z occ
Zn1     0    0    0
Zn2  .625 .625 .625  .5
Sn1  .625 .625 .625  .5
O1    .39  .39  .39
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Cd0.2 O4 Sn Zn1.8
 
Choisnet J, Deschanvres A, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4.
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4
_cod_database_code 1001188
_database_code_amcsd 0012267
8.71 8.71 8.71 90 90 90 Fd3m
atom    x    y    z occ
Zn1     0    0    0  .8
Zn2  .625 .625 .625  .5
Cd1     0    0    0  .2
Sn1  .625 .625 .625  .5
O1    .39  .39  .39
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Cd0.4 O4 Sn Zn1.6
 
Choisnet J, Deschanvres A, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4.
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4
_cod_database_code 1001189
_database_code_amcsd 0012268
8.76 8.76 8.76 90 90 90 Fd3m
atom    x    y    z  occ
Zn1     0    0    0  .67
Zn2  .625 .625 .625 .465
Cd1     0    0    0  .33
Cd2  .625 .625 .625 .035
Sn1  .625 .625 .625   .5
O1    .39  .39  .39
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Cd0.6 O4 Sn Zn1.4
 
Choisnet J, Deschanvres A, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4.
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4
_cod_database_code 1001190
_database_code_amcsd 0012269
8.82 8.82 8.82 90 90 90 Fd3m
atom    x    y    z occ
Zn1     0    0    0  .5
Zn2  .625 .625 .625 .45
Cd1     0    0    0  .5
Cd2  .625 .625 .625 .05
Sn1  .625 .625 .625  .5
O1    .39  .39  .39
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Cd0.8 O4 Sn Zn1.2
 
Choisnet J, Deschanvres A, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4.
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4
_cod_database_code 1001191
_database_code_amcsd 0012270
8.88 8.88 8.88 90 90 90 Fd3m
atom    x    y    z occ
Zn1     0    0    0 .36
Zn2  .625 .625 .625 .42
Cd1     0    0    0 .64
Cd2  .625 .625 .625 .08
Sn1  .625 .625 .625  .5
O1    .39  .39  .39
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Cd O4 Sn Zn
 
Choisnet J, Deschanvres A, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4.
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4
_cod_database_code 1001192
_database_code_amcsd 0012271
8.94 8.94 8.94 90 90 90 Fd3m
atom    x    y    z  occ
Zn1     0    0    0  .27
Zn2  .625 .625 .625 .365
Cd1     0    0    0  .73
Cd2  .625 .625 .625 .135
Sn1  .625 .625 .625   .5
O1    .39  .39  .39
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Cd1.2 O4 Sn Zn0.8
 
Choisnet J, Deschanvres A, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4.
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4
_cod_database_code 1001193
_database_code_amcsd 0012272
8.98 8.98 8.98 90 90 90 Fd3m
atom    x    y    z occ
Zn1     0    0    0 .22
Zn2  .625 .625 .625 .29
Cd1     0    0    0 .78
Cd2  .625 .625 .625 .21
Sn1  .625 .625 .625  .5
O1   .395 .395 .395
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Cd1.5 O4 Sn Zn0.5
 
Choisnet J, Deschanvres A
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4.
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4
_cod_database_code 1001194
_database_code_amcsd 0012273
9.03 9.03 9.03 90 90 90 Fd3m
atom    x    y    z  occ
Zn1     0    0    0  .15
Zn2  .625 .625 .625 .175
Cd1     0    0    0  .85
Cd2  .625 .625 .625 .325
Sn1  .625 .625 .625   .5
O1   .395 .395 .395
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Cd1.6 O4 Sn Zn0.4
 
Choisnet J, Deschanvres A, Raveau B
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 266 (1968) 543-545
Substitution du zinc par le cadmium dans le spinelle Zn2 Sn O4.
Etude de la repartition des cations dans la solution solide Zn2-2xCd2xSnO4
_cod_database_code 1001195
_database_code_amcsd 0012274
9.05 9.05 9.05 90 90 90 Fd3m
atom    x    y    z occ
Zn1     0    0    0 .12
Zn2  .625 .625 .625 .14
Cd1     0    0    0 .88
Cd2  .625 .625 .625 .36
Sn1  .625 .625 .625  .5
O1   .395 .395 .395
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Al Ca O4 Y
 
Choisnet J, Archaimbault F, Crespin M, Chezina N, Zvereva I
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 619-628
Crystal chemistry of the diluted solid solution YCaCrxAl1-xO4(x<=0.07)
at 1273K: reversed trends in the anisotropy of the K2NiF4 type structure
_cod_database_code 1001545
_database_code_amcsd 0012580
3.6434 3.6434 11.871 90 90 90 I4/mmm
atom x  y     z occ
Y1   0  0 .3578  .5
Ca1  0  0 .3578  .5
Al1  0  0     0
O1   0 .5     0
O2   0  0 .1679
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Al Ca O4 Y
 
Choisnet J, Archaimbault F, Crespin M, Chezina N, Zvereva I
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 619-628
Crystal chemistry of the diluted solid solution YCaCrxAl1-xO4(x<=0.07)
at 1273K: reversed trends in the anisotropy of the K2NiF4 type structure
_cod_database_code 1001546
_database_code_amcsd 0012581
3.6750 3.6750 12.011 90 90 90 I4/mmm
atom x  y     z occ
Y1   0  0 .3570  .5
Ca1  0  0 .3570  .5
Al1  0  0     0
O1   0 .5     0
O2   0  0 .1654
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Al0.93 Ca Cr0.07 O4 Y
 
Choisnet J, Archaimbault F, Crespin M, Chezina N, Zvereva I
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 619-628
Crystal chemistry of the diluted solid solution YCaCrxAl1-xO4(x<=0.07)
at 1273K: reversed trends in the anisotropy of the K2NiF4 type structure
_cod_database_code 1001547
_database_code_amcsd 0012582
3.6526 3.6526 11.864 90 90 90 I4/mmm
atom x  y     z occ
Y1   0  0 .3592  .5
Ca1  0  0 .3592  .5
Al1  0  0     0 .93
Cr1  0  0     0 .07
O1   0 .5     0
O2   0  0 .1712
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Al0.93 Ca Cr0.07 O4 Y
 
Choisnet J, Archaimbault F, Crespin M, Chezina N, Zvereva I
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 619-628
Crystal chemistry of the diluted solid solution YCaCrxAl1-xO4(x<=0.07)
at 1273K: reversed trends in the anisotropy of the K2NiF4 type structure
_cod_database_code 1001548
_database_code_amcsd 0012583
3.6810 3.6810 12.015 90 90 90 I4/mmm
atom    x  y     z occ
Y1      0  0 .3565  .5
Ca1     0  0 .3565  .5
Al1     0  0     0 .93
Cr1     0  0     0 .07
O1      0 .5     0
O2   .105  0 .1622 .25
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Li2 O6 Te Ti
 
Crosnier M, Delarue E, Choisnet J, Fourquet J
 
European Journal of Solid State and Inorganic Chemistry 39 (1992) 321-332
Li^+^-H^+^ exchange on Li2TiTeO6
_cod_database_code 1000334
_database_code_amcsd 0012626
5.0743 4.9067 8.4083 90 90 90 Pnn2
atom    x    y     z  occ
Li1     0    0  .599
Li2     0   .5  .742
Ti1     0   .5 .3066 .915
Te1     0   .5 .3066 .085
Te2     0    0     0 .915
Ti2     0    0     0 .085
O1   .153 .242  .159
O2   .681 .208  .976
O3   .828 .791  .815
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H1.68 Li0.32 O6 Te Ti
 
Crosnier M, Delarue E, Choisnet J, Fourquet J
 
European Journal of Solid State and Inorganic Chemistry 39 (1992) 321-332
Li^+^-H^+^ exchange on Li2TiTeO6
_cod_database_code 1000335
_database_code_amcsd 0012627
5.0098 4.7020 8.6118 90 90 90 Pnnm
atom    x    y     z  occ
Ti1     0    0  .362 .188
Ti2     0   .5 .2975 .312
Te1     0    0     0
O1   .183 .225 .1657
O2   .312 .749     0
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H1.68 Li0.32 O6 Te Ti
 
Crosnier M, Delarue E, Choisnet J, Fourquet J
 
European Journal of Solid State and Inorganic Chemistry 39 (1992) 321-332
Li^+^-H^+^ exchange on Li2TiTeO6
_cod_database_code 1000336
_database_code_amcsd 0012628
4.6861 4.6861 8.8707 90 90 90 P4_2nm
atom    x    y     z  occ
Te1     0    0     0 .885
Ti1     0    0     0 .115
Te2     0    0 .3481 .115
Ti2     0    0 .3481 .885
O1   .291 .291  .028
O2   .300 .300  .351
O3   .307 .307  .674
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Cu Nd2 O3.5
 
Choisnet J, Mouron M, Crespin M, van Aken P, Mueller W
 
Journal of Materials Chemistry 4 (1994) 895-898
Perovskite-like intergrowth structure of the reduced cuprate Nd2CuO3.5:
a combination of defect and excess oxygen non-stoichiometry phenomena
_cod_database_code 1001671
_database_code_amcsd 0013071
4.237 3.7675 11.917 90 90 90 Immm
atom    x    y     z  occ
Nd1     0    0 .3481
Cu1     0    0     0
O1     .5    0     0  .90
O2      0   .5     0  .13
O3   .089 .057  .151  .23
O4     .5    0  .261 .315
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Ba2 Ce O6 Pt
 
Ouchetto K, Archaimbault F, Pineau A, Choisnet J
 
Journal of Materials Science. Letters 10 (1991) 1277-1279
Chemical and structural characterization of a new barium ceroplatinate:
Ba2CePtO6 a double perovskite mixed oxide
_cod_database_code 1001469
_database_code_amcsd 0013127
8.4088 8.4088 8.4088 90 90 90 Fm3m
atom     x   y   z
Ba1    .25 .25 .25
Ce1     .5  .5  .5
Pt1      0   0   0
O1   .2480   0   0
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Ge3 K O9 Ta
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 4 (1972) 209-218
Sur de nouveaux germanates et silicates de type benitoite
_cod_database_code 1001074
_database_code_amcsd 0013293
6.972 6.972 10.144 90 90 120 P-6c2
atom    x    y   z
K1    2/3  1/3   0
Ta1   1/3  2/3   0
Ge1  .072 .292 .25
O1   .255 .195 .25
O2   .098  .44 .11
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Ge3 O9 Rb Ta
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 4 (1972) 209-218
Sur de nouveaux qermanates et silicates de type benitoite
_cod_database_code 1001075
_database_code_amcsd 0013294
7.041 7.041 10.116 90 90 120 P-6c2
atom    x    y    z
Rb1   2/3  1/3    0
Ta1   1/3  2/3    0
Ge1  .071 .289  .25
O1   .253 .193  .25
O2   .105  .45 .115
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Ge3 Nb O9 Rb
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 4 (1972) 209-218
Sur de nouveaux germanates et silicates de type benitoite
_cod_database_code 1001076
_database_code_amcsd 0013295
7.038 7.038 10.132 90 90 120 P-6c2
atom    x    y   z
Rb1   2/3  1/3   0
Nb1   1/3  2/3   0
Ge1  .071 .289 .25
O1   .253 .193 .25
O2   .098  .44 .11
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Ge3 O9 Ta Tl
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 4 (1972) 209-218
Sur de nouveaux germanates et silicates de type benitoite
_cod_database_code 1001077
_database_code_amcsd 0013296
7.036 7.036 10.124 90 90 120 P-6c2
atom    x    y   z
Tl1   2/3  1/3   0
Ta1   1/3  2/3   0
Ge1  .071 .289 .25
O1   .253 .193 .25
O2   .098  .44 .11
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Ba Ge3 O9 Sn
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 4 (1972) 209-218
Sur de nouveaux germanates et silicates de type benitoite
_cod_database_code 1001078
_database_code_amcsd 0013297
6.894 6.894 10.233 90 90 120 P-6c2
atom    x    y    z
Ba1   2/3  1/3    0
Sn1   1/3  2/3    0
Ge1  .072 .295  .25
O1   .258 .197  .25
O2    .09 .439 .109
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Pabstite
Download hom/pabstite.pdf
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 4 (1972) 209-218
Sur de nouveaux germanates et silicates de type benitoite
_cod_database_code 1001773
_database_code_amcsd 0013298
6.728 6.728 9.838 90 90 120 P-6c2
atom    x    y    z
Ba1   2/3  1/3    0
Sn1   1/3  2/3    0
Si1   .07 .285  .25
O1    .25 .191  .25
O2   .087 .424 .109
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K2 O9 Si3 Ti
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001111
_database_code_amcsd 0013317
6.774 6.774 9.922 90 90 120 P6_3/m
atom     x     y     z
K1     1/3 .6666 .0593
Ti1      0     0     0
Si1  .3784 .2437   .25
O1   .4975 .0865   .25
O2    .255 .2307 .1146
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O9 Rb2 Si3 Ti
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001112
_database_code_amcsd 0013318
6.896 6.896 9.943 90 90 120 P6_3/m
atom     x     y     z
Rb1    1/3 .6666 .0607
Ti1      0     0     0
Si1  .3791 .2399   .25
O1   .4956 .0898   .25
O2   .2504 .2111  .115
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K2 O9 Si3 Sn
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001113
_database_code_amcsd 0013319
6.86 6.86 10.12 90 90 120 P6_3/m
atom     x     y     z
K1     1/3 .6666 .0579
Sn1      0     0     0
Si1  .3847 .2546   .25
O1   .4933 .0869   .25
O2   .2539 .2439 .1076
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O9 Rb2 Si3 Sn
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001114
_database_code_amcsd 0013320
6.943 6.943 10.04 90 90 120 P6_3/m
atom     x     y     z
Rb1    1/3 .6666 .0619
Sn1      0     0     0
Si1  .3874 .2471   .25
O1   .5061 .0975   .25
O2   .2525 .2246 .1198
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Ge3 O9 Ti Tl2
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001115
_database_code_amcsd 0013321
6.99 6.99 10.267 90 90 120 P6_3/m
atom     x     y     z
Tl1    1/3 .6666 .0557
Ti1      0     0     0
Ge1  .3676 .2432   .25
O1   .4652 .0642   .25
O2   .2202 .2187 .1159
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Cs2 Ge3 O9 Ti
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001116
_database_code_amcsd 0013322
7.191 7.191 10.36 90 90 120 P6_3/m
atom     x     y     z
Cs1    1/3 .6666 .0599
Ti1      0     0     0
Ge1  .3713 .2287   .25
O1   .4885 .0799   .25
O2    .217 .1953  .122
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Cs2 Ge3 O9 Sn
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001117
_database_code_amcsd 0013323
7.288 7.288 10.472 90 90 120 P6_3/m
atom     x     y     z
Cs1    1/3 .6666 .0615
Sn1      0     0     0
Ge1  .3827 .2332   .25
O1   .4927 .0657   .25
O2   .2377 .2161 .1167
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Ge3 K2 O9 Ti
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001118
_database_code_amcsd 0013324
11.916 11.916 10.018 90 90 120 P-3c1
atom     x     y     z
K1   -.014 .3187 .4233
Ti1      0     0     0
Ti2    1/3   2/3 .4695
Ge1      0 .1798   .25
Ge2  .6774 .5208   .79
O1       0  .438   .25
O2   .8698 .9308 .9028
O3   .7985 .6591 .8415
O4   .7041 .4637  .669
O5   .6072 .4382 .9234
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Ge3 O9 Rb2 Ti
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001119
_database_code_amcsd 0013325
12.195 12.195 10.148 90 90 120 P-3c1
atom     x     y     z
Rb1  -.001 .3364 .4237
Ti1      0     0     0
Ti2    1/3   2/3 .4616
Ge1      0 .1784   .25
Ge2  .6652 .5183 .7813
O1       0 .4531   .25
O2   .7844 .6754 .7956
O3   .8111 .9026 .9033
O4   .6611 .4337 .6393
O5   .6456 .4371 .9384
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Ge3 K2 O9 Sn
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001120
_database_code_amcsd 0013326
12.082 12.082 10.181 90 90 120 P-3c1
atom     x     y     z
K1   -.009 .3218 .4269
Sn1      0     0     0
Sn2    1/3   2/3 .4655
Ge1      0 .1746   .25
Ge2  .6577 .5213 .7947
O1       0 .4658   .25
O2    .791 .6812 .8256
O3   .7938 .8977 .8888
O4    .728 .4705 .6732
O5   .6512  .436 .9276
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Ge3 O9 Rb2 Sn
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001121
_database_code_amcsd 0013327
12.305 12.305 10.205 90 90 120 P-3c1
atom     x     y     z
Rb1  -.001 .3383 .4257
Sn1      0     0     0
Sn2    1/3   2/3 .4699
Ge1      0 .1866   .25
Ge2  .6608 .5158 .7856
O1       0 .4529   .25
O2   .7824 .6692 .8425
O3   .8046 .9123 .8978
O4   .7369  .478 .6518
O5   .6405 .4361 .9392
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Ge3 O9 Sn Tl2
 
Choisnet J, Deschanvres A, Raveau B
 
Journal of Solid State Chemistry 7 (1973) 408-417
Evolution structural de nouveaux germanates et silicates de type
Wadeite et de structure apparentee
_cod_database_code 1001122
_database_code_amcsd 0013328
12.351 12.351 10.134 90 90 120 P-3c1
atom     x     y     z
Tl1   .016  .339 .4205
Sn1      0     0     0
Sn2    1/3   2/3 .4545
Ge1      0  .169   .25
Ge2  .6526 .5248 .7805
O1       0 .4907   .25
O2   .7842 .6697 .8205
O3   .8173 .8966 .8877
O4   .6835 .4641 .6393
O5   .6052 .4003 .9183
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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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Chayesite
Download hom/chayesite.pdf
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
Locality: synthetic
_database_code_amcsd 0013386
10.22 10.22 14.176 90 90 120 P6/mcc
atom    x    y    z   occ Biso
KA1     0    0  .25         .8
KA2   1/3  2/3    0    .5   .6
MgM1  1/3  2/3  .25    .8  1.6
FeM1  1/3  2/3  .25    .2  1.6
MgM2   .5    0  .25 .4667  1.3
FeM2   .5    0  .25 .5333  1.3
Si   .763 .110 .114        1.1
O1   .738 .116    0         .1
O2   .936 .207 .136         .1
O3   .651 .152 .166         .8
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Eifelite
Download hom/eifelite.pdf
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
Locality: synthetic
_database_code_amcsd 0013387
10.152 10.152 14.28 90 90 120 P6/mcc
atom    x    y    z occ Biso
KA1     0    0  .25      2.2
NaA2  1/3  2/3    0  .5   .6
MgM1  1/3  2/3  .25      1.7
MgM2   .5    0  .25      1.2
Si   .763 .114 .109      1.1
O1   .734 .132    0       .6
O2   .945 .221 .133      1.4
O3   .662 .157 .172       .7
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K2Mg3Cu2Si12O30
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
Locality: synthetic
_database_code_amcsd 0013388
10.169 10.169 14.182 90 90 120 P6/mcc
atom    x    y    z   occ Biso
KA1     0    0  .25        1.3
KA2   1/3  2/3    0    .5   .9
MgM1  1/3  2/3  .25  .875  2.2
CuM1  1/3  2/3  .25  .125  2.2
MgM2   .5    0  .25 .4167  1.6
CuM2   .5    0  .25 .5833  1.6
Si   .764 .110 .110         .4
O1   .747 .131    0        1.4
O2   .931 .212  .14         .1
O3   .662 .157 .165         .3
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K2Mg3Zn2Si12O30
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
Locality: synthetic
_database_code_amcsd 0013389
10.199 10.199 14.145 90 90 120 P6/mcc
atom    x    y    z   occ Biso
KA1     0    0  .25         .9
KA2   1/3  2/3    0    .5  1.3
MgM1  1/3  2/3  .25        2.0
MgM2   .5    0  .25 .3333   .8
ZnM2   .5    0  .25 .6667   .8
Si   .767 .114 .112        1.3
O1   .733 .114    0        1.7
O2   .945 .218 .136         .4
O3   .651 .158 .172         .1
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Na2Mg5Si12O30
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
Locality: synthetic
_database_code_amcsd 0013390
10.151 10.151 14.288 90 90 120 P6/mcc
atom    x    y    z occ Biso
NaA1    0    0  .25  .6  1.0
NaA2  1/3  2/3    0  .7  1.2
MgM1  1/3  2/3  .25      1.8
MgM2   .5    0  .25       .3
Si   .764 .116 .111      1.0
O1   .730 .123    0       .7
O2   .945 .213 .135      1.4
O3   .652 .156 .171       .9
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Na2Mg3Cu2Si12O30
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
Locality: synthetic
_database_code_amcsd 0013391
10.096 10.096 14.25 90 90 120 P6/mcc
atom    x    y    z   occ Biso
NaA1    0    0  .25    .4  1.0
NaA2  1/3  2/3    0    .8  1.2
MgM1  1/3  2/3  .25  .925  1.9
CuM1  1/3  2/3  .25  .075  1.9
MgM2   .5    0  .25 .3833  1.0
CuM2   .5    0  .25 .6167  1.0
Si   .763 .109 .108         .4
O1   .738 .137    0         .9
O2   .942 .213 .138         .6
O3   .665 .156 .164         .4
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RbNaMg5Si12O30
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
Locality: synthetic
_database_code_amcsd 0013392
10.135 10.135 14.376 90 90 120 P6/mcc
atom    x    y    z occ Biso
RbA1    0    0  .25      2.0
NaA2  1/3  2/3    0  .5  1.5
MgM1  1/3  2/3  .25      1.5
MgM2   .5    0  .25       .7
Si   .761 .116 .107      1.0
O1   .730 .139    0       .6
O2   .942 .223 .136      1.0
O3   .658 .155 .163       .7
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K3Mg4LiSi12O30
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
Locality: synthetic
_database_code_amcsd 0013393
10.253 10.253 14.04 90 90 120 P6/mcc
atom    x    y    z   occ Biso
KA1     0    0  .25         .6
KA2   1/3  2/3    0         .4
MgM1  1/3  2/3  .25        1.6
MgM2   .5    0  .25 .6667   .8
LiM2   .5    0  .25 .3333   .8
Si   .767 .109 .112         .9
O1   .743 .118    0         .7
O2   .942 .209 .140         .6
O3   .659 .155 .169         .7
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Na3Mg4LiSi12O30
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
Locality: synthetic
_database_code_amcsd 0013394
10.155 10.155 14.158 90 90 120 P6/mcc
atom    x    y    z   occ Biso
NaA1    0    0  .25        2.6
NaA2  1/3  2/3    0        2.1
MgM1  1/3  2/3  .25         .9
MgM2   .5    0  .25 .6667  1.2
LiM1   .5    0  .25 .3333  1.2
Si   .763 .110 .108         .8
O1   .738 .138    0        1.4
O2   .937 .207 .136        1.0
O3   .669 .160 .164         .7
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Cu2 K2 Mg3 O30 Si12
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
_cod_database_code 1001136
_database_code_amcsd 0013395
10.169 10.169 14.182 90 90 120 P6/mcc
atom    x    y    z   occ
K1      0    0  .25
K2    1/3  2/3    0    .5
Mg1   1/3  2/3  .25  .875
Mg2    .5    0  .25 .4167
Cu1   1/3  2/3  .25  .125
Cu2    .5    0  .25 .5833
Si1  .764  .11  .11
O1   .747 .131    0
O2   .931 .212  .14
O3   .662 .157 .165
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K2 Mg3 O30 Si12 Zn2
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
_cod_database_code 1001137
_database_code_amcsd 0013396
10.199 10.199 14.145 90 90 120 P6/mcc
atom    x    y    z   occ
K1      0    0  .25
K2    1/3  2/3    0    .5
Mg1   1/3  2/3  .25
Mg2    .5    0  .25 .3333
Zn1    .5    0  .25 .6667
Si1  .767 .114 .112
O1   .733 .114    0
O2   .945 .218 .136
O3   .651 .158 .172
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Mg5 Na2 O30 Si12
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
_cod_database_code 1001138
_database_code_amcsd 0013397
10.151 10.151 14.288 90 90 120 P6/mcc
atom    x    y    z occ
Na1     0    0  .25  .6
Na2   1/3  2/3    0  .7
Mg1   1/3  2/3  .25
Mg2    .5    0  .25
Si1  .764 .116 .111
O1    .73 .123    0
O2   .945 .213 .135
O3   .652 .156 .171
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Cu2 Mg3 Na2 O30 Si12
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
_cod_database_code 1001139
_database_code_amcsd 0013398
10.096 10.096 14.25 90 90 120 P6/mcc
atom    x    y    z   occ
Na1     0    0  .25    .4
Na2   1/3  2/3    0    .8
Mg1   1/3  2/3  .25  .925
Mg2    .5    0  .25 .3833
Cu1   1/3  2/3  .25  .075
Cu2    .5    0  .25 .6167
Si1  .763 .109 .108
O1   .738 .137    0
O2   .942 .213 .138
O3   .665 .156 .164
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Mg5 Na O30 Rb Si12
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
_cod_database_code 1001140
_database_code_amcsd 0013399
10.135 10.135 14.376 90 90 120 P6/mcc
atom    x    y    z occ
Rb1     0    0  .25
Na1   1/3  2/3    0  .5
Mg1   1/3  2/3  .25
Mg2    .5    0  .25
Si1  .761 .116 .107
O1    .73 .139    0
O2   .942 .223 .136
O3   .658 .155 .163
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K3 Li Mg4 O30 Si12
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
_cod_database_code 1001141
_database_code_amcsd 0013400
10.253 10.253 14.04 90 90 120 P6/mcc
atom    x    y    z   occ
K1      0    0  .25
K2    1/3  2/3    0
Mg1   1/3  2/3  .25
Mg2    .5    0  .25 .6667
Li1    .5    0  .25 .3333
Si1  .767 .109 .112
O1   .743 .118    0
O2   .942 .209  .14
O3   .659 .155 .169
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Li Mg4 Na3 O30 Si12
 
Nguyen N, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 34 (1980) 1-9
Silicates synthetiques a structure milarite
_cod_database_code 1001142
_database_code_amcsd 0013401
10.155 10.155 14.158 90 90 120 P6/mcc
atom    x    y    z   occ
Na1     0    0  .25
Na2   1/3  2/3    0
Mg1   1/3  2/3  .25
Mg2    .5    0  .25 .6667
Li1    .5    0  .25 .3333
Si1  .763  .11 .108
O1   .738 .138    0
O2   .937 .207 .136
O3   .669  .16 .164
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Cu La0.74 O4 Sr1.2
 
Nguyen N, Choisnet J, Hervieu M, Raveau B
 
Journal of Solid State Chemistry 39 (1981) 120-127
Oxygen Defect K2NiF4-Type Oxides: The Compounds La2-xSrxCuO4-x/2+d
_cod_database_code 1001204
_database_code_amcsd 0013418
18.804 18.804 12.941 90 90 90 I4/mmm
atom    x    y    z occ
Sr1     0    0 .347
Sr2  .194    0 .359 .75
La1  .194    0 .359 .25
Sr3  .403    0 .356 .75
La2  .403    0 .356 .25
Sr4    .2   .2 .357
Sr5   .41  .41 .358
La3  .389 .192 .357  .9
Cu1     0    0    0
Cu2    .2    0    0
Cu3    .4    0    0
Cu4    .2   .2    0
Cu5  .405 .405    0
Cu6  .403 .205    0
O1      0    0 .168
O2   .216    0 .168
O3   .382    0 .168
O4   .182 .182 .172
O5     .4   .4 .168
O6     .4 .202 .163
O7     .1    0    0
O8     .3    0    0
O9      0   .5    0
O10  .214   .1    0
O11   .43   .1    0
O12    .3   .2    0
O13   .39  .31    0
O14    .2   .5    0
O15    .4   .5    0
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LiFeSnO4
 
Choisnet J, Hervieu M, Raveau B, Tarte P
 
Journal of Solid State Chemistry 40 (1981) 344-351
Two Polymorphous Lithium Stannoferrites LiFeSnO4: A Ramsdellite-
Type and a Hexagonal Close-Packed Structure
_cod_database_code 1001219
_database_code_amcsd 0013458
3.066 5.066 9.874 90 90 90 Pmcn
atom   x    y     z occ
Li1  .25  .86   .44 .25
Li2  .25  .97   .57 .25
Fe1  .25 .981 .1418  .5
Sn1  .25 .981 .1418  .5
O1   .25 .687  .284
O2   .25 .212 -.040
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Fe Li O4 Sn
 
Choisnet J, Hervieu M, Raveau B, Tarte P
 
Journal of Solid State Chemistry 40 (1981) 344-351
Two Polymorphous Lithium Stannoferrites Li Fe Sn O4: A Ramsdellite-
Type and a Hexagonal Close-Packed Structure
_cod_database_code 1001220
_database_code_amcsd 0013459
6.012 6.012 9.776 90 90 120 P6_3mc
atom    x     y     z  occ
Sn1   1/3   2/3  .497
Li1   1/6  -1/6  .214 .146
Fe1   1/6  -1/6  .214  .52
Sn2   1/6  -1/6  .214 .333
Li2   1/3   2/3 -.082  .56
Fe2   1/3   2/3 -.082  .44
Li3     0     0   .51
O1      0     0  .325
O2    1/3   2/3  .107
O3   .481 -.481  .342
O4   .160 -.160  .612
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Al Cr2 Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001227
_database_code_amcsd 0013487
5.796 5.796 9.466 90 90 120 P6_3mc
atom     x      y     z   occ
Li1    1/3    2/3 -.116
Li2      0      0  .512
Cr1  .1724 -.1724 .2151 .6667
Al1  .1724 -.1724 .2151 .3333
Sb1    1/3    2/3 .4910
O1       0      0  .302
O2     1/3    2/3  .090
O3    .482  -.482  .346
O4    .165  -.165  .596
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Al2 Cr Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001228
_database_code_amcsd 0013488
5.703 5.703 9.392 90 90 120 P6_3mc
atom     x      y     z   occ
Li1    1/3    2/3 -.076
Li2      0      0  .555
Cr1  .1660 -.1660 .2503 .3333
Al1  .1660 -.1660 .2503 .6667
Sb1    1/3    2/3 .5202
O1       0      0  .338
O2     1/3    2/3  .165
O3    .490  -.490  .389
O4    .171  -.171  .652
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Cr2 Fe Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001229
_database_code_amcsd 0013489
5.867 5.867 9.542 90 90 120 P6_3mc
atom     x      y     z   occ
Li1    1/3    2/3 -.097
Li2      0      0  .523
Cr1  .1710 -.1710 .2118 .6667
Fe1  .1710 -.1710 .2118 .3333
Sb1    1/3    2/3 .4914
O1       0      0  .310
O2     1/3    2/3  .101
O3    .475  -.475  .365
O4    .171  -.171  .598
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Fe3 Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001230
_database_code_amcsd 0013490
5.923 5.923 9.641 90 90 120 P6_3mc
atom     x      y     z occ
Li1    1/3    2/3 -.072 .55
Fe1    1/3    2/3 -.072 .45
Li2      0      0  .510 .67
Fe2      0      0  .510 .33
Li3  .1697 -.1697  .204 .26
Fe3  .1697 -.1697  .204 .63
Sb1  .1697 -.1697  .204 .11
Sb2    1/3    2/3 .4802 .67
Fe4    1/3    2/3 .4802 .33
O1       0      0  .304
O2     1/3    2/3  .114
O3    .481  -.481  .344
O4    .180  -.180  .581
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Cr2 Fe Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001231
_database_code_amcsd 0013491
8.398 8.398 8.398 90 90 90 Fd3m
atom    x    y    z   occ
Li1     0    0    0 .3333
Cr1     0    0    0 .3333
Fe1     0    0    0 .1667
Sb1     0    0    0 .1667
Li2  .625 .625 .625 .3333
Cr2  .625 .625 .625 .3333
Fe2  .625 .625 .625 .1667
Sb2  .625 .625 .625 .1667
O1   .384 .384 .384
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Fe3 Li2 O8 Sb
 
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 44 (1982) 282-289
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
_cod_database_code 1001232
_database_code_amcsd 0013492
8.425 8.425 8.425 90 90 90 Fd3m
atom    x    y    z   occ
Li1     0    0    0 .3333
Fe1     0    0    0    .5
Sb1     0    0    0 .1667
Li2  .625 .625 .625 .3333
Fe2  .625 .625 .625    .5
Sb2  .625 .625 .625 .1667
O1   .382 .382 .382
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LiFeSnO4
 
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 50 (1983) 196-203
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a
nonstoichiometric ramsdellite and its transition to a double hexagonal
close packed structure for x = 0
_cod_database_code 1000432
_database_code_amcsd 0013515
3.066 5.066 9.874 90 90 90 Pmcn
atom   x     y      z occ
Li1  .25  .935   .466 .38
Li2  .25  .972   .605 .12
Fe1  .25 .9861  .1419  .5
Sn1  .25 .9861  .1419  .5
O1   .25 .7076  .2828
O2   .25 .2039 -.0394
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Li.7Fe.375Sn.54O2
 
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 50 (1983) 196-203
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a
nonstoichiometric ramsdellite and its transition to a double hexagonal
close packed structure for x = 0
_cod_database_code 1000433
_database_code_amcsd 0013516
3.074 5.116 9.881 90 90 90 Pmcn
atom   x     y      z  occ
Li1  .25  .907   .423 .625
Li2  .25 .9663  .1362 .083
Fe1  .25 .9663  .1362 .375
Sn1  .25 .9663  .1362 .542
O1   .25 .6602  .2704
O2   .25 .2154 -.0347
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LiFeSnO4
 
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 50 (1983) 196-203
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a
nonstoichiometric ramsdellite and its transition to a double hexagonal
close packed structure for x = 0
_cod_database_code 1000434
_database_code_amcsd 0013517
6.012 6.012 9.776 90 90 120 P6_3mc
atom     x      y     z   occ
Li1    1/3    2/3 -.095   .56
Fe1    1/3    2/3 -.095   .44
Li2      0      0  .502
Sn1    1/3    2/3 .4862
Li3  .1675 -.1675  .214 .1467
Fe2  .1675 -.1675  .214   .52
Sn2  .1675 -.1675  .214 .3333
O1       0      0 .3145
O2     1/3    2/3 .1076
O3   .4808 -.4808 .3464
O4   .1737 -.1737 .6036
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Fe4 Li4.66 O16 Sb2 Sn1.32
 
Lacorre P, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 51 (1984) 44-52
Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4
(M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H.LiFeSnO4
_cod_database_code 1000196
_database_code_amcsd 0013519
5.950 5.950 9.701 90 90 120 P6_3mc
atom     x      y     z   occ
Sb1    1/3    2/3 .4999 .5723
Sn1    1/3    2/3 .4999 .3777
Fe1    1/3    2/3 .4999   .05
Fe2  .1692 -.1692 .2216   .53
Sb2  .1692 -.1692 .2216 .1446
Sn2  .1692 -.1692 .2216 .0954
Li1  .1692 -.1692 .2216   .23
Li2    1/3    2/3 -.075   .64
Fe3    1/3    2/3 -.075   .36
Li3      0      0  .510
O1       0      0 .3146
O2     1/3    2/3 .1216
O3   .4784 -.4784 .3609
O4   .1607 -.1607 .6077
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Fe2 Li2.33 O8 Sb Sn0.66
 
Lacorre P, Hervieu M, Choisnet J, Raveau B
 
Journal of Solid State Chemistry 51 (1984) 44-52
Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4
(M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H.LiFeSnO4
_cod_database_code 1000197
_database_code_amcsd 0013520
3.031 5.045 9.798 90 90 90 Pmcn
atom   x    y     z   occ
Li1  .25 .925  .425   .25
Li2  .25  .91   .55   .25
Li3  .25 .974 .1396 .0833
Fe1  .25 .974 .1396    .5
Sb1  .25 .974 .1396   .25
Sn1  .25 .974 .1396 .1667
O1   .25 .725  .270
O2   .25 .219 -.043
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Cu0.6667 Fe0.6667 O3 Ti0.6667
 
Mouron P, Odier P, Choisnet J
 
Journal of Solid State Chemistry 60 (1985) 87-94
Titanates de cuivre substitues a structure bixbyite: Les composes
Cu1-x Ti1-x Fe2x O3 (0.15
_cod_database_code 1001551
_database_code_amcsd 0013563
9.4312 9.4312 9.4312 90 90 90 Ia3
atom     x    y    z   occ
Cu1    .25  .25  .25 .3333
Ti1    .25  .25  .25 .3333
Fe1    .25  .25  .25 .3333
Cu2  -.030    0  .25 .3333
Ti2  -.030    0  .25 .3333
Fe2  -.030    0  .25 .3333
O1    .377 .158 .395
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Cu2.67 Li1.33 Nb1.33 O12 Ti2.67
 
Mouron P, Choisnet J
 
Journal of Solid State Chemistry 66 (1987) 311-317
New substituted copper titanates with the Ca Cu3 Ti4 O12
structure: Li (Cu3-x Lix) (Ti3-x M1+x) O12 (M(V)=Nb:
12
_cod_database_code 1001354
_database_code_amcsd 0013594
7.4314 7.4314 7.4314 90 90 90 Im3
atom    x    y   z occ
Li1   .11  .06   0 .08
Cu1     0   .5  .5 .89
Li2     0   .5  .5 .11
Ti1   .25  .25 .25 .67
Nb1   .25  .25 .25 .33
O1   .310 .180   0
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Li2 O6 Te Zr
 
Choisnet J, Rulmont A, Tarte P
 
Journal of Solid State Chemistry 75 (1988) 124-135
Les tellurates mixtes Li2 Zr Te O6 et Li2 Hf Te O6: un nouveau
phenomene d'ordre dans la famille corindon
_cod_database_code 1001370
_database_code_amcsd 0013618
5.172 5.172 13.847 90 90 120 R3
atom    x    y    z
Li1     0    0  .29
Li2     0    0  .76
Zr1     0    0 .993
Te1     0    0   .5
O1   .049 .355 .077
O2   .652 .962 .576
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Ag Mo Na O4
 
Rulmont A, Tarte P, Foumakoye G, Fransolet A, Choisnet J
 
Journal of Solid State Chemistry 76 (1988) 18-25
The disordered Spinel Na Ag Mo O4 and Its High Temperature, Ordered
Orthorhombic Polymorph
_cod_database_code 1001372
_database_code_amcsd 0013621
10.384 7.1220 5.5933 90 90 90 Pnma
atom     x      y      z occ
Na1     .5     .5     .5 .94
Ag1     .5     .5     .5 .06
Ag2  .1384    .25   .509 .94
Na2  .1384    .25   .509 .06
Mo1   .316    .25  .0009
O1   .3559    .25  .2965
O2   .1595    .25  -.068
O3   .3760 -.9532 -.1254
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Li2 O6 Te Ti
 
Choisnet J, Rulmont A, Tarte P
 
Journal of Solid State Chemistry 82 (1989) 272-278
Ordering phenomena in the Li Sb O3 type structure: The new mixed
tellurates Li2 Ti Te O6 and Li2 Sn Te O6
_cod_database_code 1001856
_database_code_amcsd 0013666
5.072 4.903 8.402 90 90 90 Pnn2
atom    x    y     z occ
Li1     0    0  .723
Li2     0   .5  .790
Te1     0    0 .1057 .94
Ti2     0    0 .1057 .06
Te2     0   .5 .4026 .06
Ti1     0   .5 .4026 .94
O1   .166 .254  .257
O2   .669 .207  .078
O3   .829 .793  .938
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La1.6 Ni O3.5 Sr0.4
 
Crespin M, Bassat J, Odier P, Mouron P, Choisnet J
 
Journal of Solid State Chemistry 84 (1990) 165-170
Synthesis and crystallographic characterization of the mixed-valence
reduced nickelate La1.6 Sr0.4 (Ni(+I), Ni(+II)) O3.47
_cod_database_code 1001696
_database_code_amcsd 0013671
3.8728 3.7242 12.767 90 90 90 Immm
atom  x  y     z occ
La1   0  0 .3610  .8
Sr1   0  0 .3610  .2
Ni1   0  0     0
O1    0  0  .173
O2   .5  0     0 .85
O3    0 .5     0 .65
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Fe1.175 Na0.875 O4 Sb0.3 Ti0.525
 
Archaimbault F, Choisnet J
 
Journal of Solid State Chemistry 90 (1991) 216-227
The defect solution
Na7/8(Fe^III^7/8+xTi^IV^9/8$/2xSb^V^x)O4(0
Evidence of Na^I^ mobility in the tunnels of a quadruple rutile-chain
structure
_cod_database_code 1001512
_database_code_amcsd 0013694
9.35 11.382 2.993 90 90 90 Pnam
atom     x     y   z  occ
Na1   .398 .1018 .75 .875
Fe1  .0227 .1203 .25 .524
Ti1  .0227 .1203 .25 .411
Sb1  .0227 .1203 .25 .065
Fe2  .2341 .3406 .75 .651
Ti2  .2341 .3406 .75 .114
Sb2  .2341 .3406 .75 .235
O1    .124  .188 .75
O2    .121  .406 .25
O3    .355  .267 .25
O4    .389  .460 .75
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La Ni O3.43 Sr
 
Crespin M, Landron C, Odier P, Bassat J, Mouron P, Choisnet J
 
Journal of Solid State Chemistry 100 (1992) 281-291
Evidence for nickel-(I)-rich mixed oxide with a defect K2NiF4 type
structure
_cod_database_code 1001513
_database_code_amcsd 0013749
3.8666 3.7281 12.644 90 90 90 Immm
atom  x  y     z occ
La1   0  0 .3586  .5
Sr1   0  0 .3586  .5
Ni1   0  0     0
O1    0  0  .164
O2   .5  0     0
O3    0 .5     0 .43
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La Ni O3.09 Sr
 
Crespin M, Landron C, Odier P, Bassat J, Mouron P, Choisnet J
 
Journal of Solid State Chemistry 100 (1992) 281-291
Evidence for nickel-(I)-rich mixed oxide with a defect K2NiF4 type
structure
_cod_database_code 1001514
_database_code_amcsd 0013750
3.853 3.566 12.869 90 90 90 Immm
atom  x  y     z occ
La1   0  0 .3587  .5
Sr1   0  0 .3587  .5
Ni1   0  0     0
O1    0  0  .159
O2   .5  0     0 .89
O3    0 .5     0 .20
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Ca3 Ga2 O12 Si Sn2
 
Rulmont A, Tarte P, Cartie B, Choisnet J
 
Journal of Solid State Chemistry 104 (1993) 165-176
Solid solutions Ca3Sn2+xSi(Ge)1-xGa2O12 (0
tetrahedral coordination of Sn^4+^ in the garnet structure
_cod_database_code 1001561
_database_code_amcsd 0013773
12.485 12.485 12.485 90 90 90 Ia3d
atom    x   y    z   occ
Ca1  .125   0  .25
Sn1     0   0    0
Ga1  .375   0  .25 .6667
Si1  .375   0  .25 .3333
O1   .962 .05 .157
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Ca3 Ga2 O12 Si0.95 Sn2.05
 
Rulmont A, Tarte P, Cartie B, Choisnet J
 
Journal of Solid State Chemistry 104 (1993) 165-176
Solid solutions Ca3Sn2+xSi(Ge)1-xGa2O12 (0
tetrahedral coordination of Sn^4+^ in the garnet structure
_cod_database_code 1001562
_database_code_amcsd 0013774
12.494 12.494 12.494 90 90 90 Ia3d
atom    x    y    z   occ
Ca1  .125    0  .25
Sn1     0    0    0
Ga1  .375    0  .25 .6667
Si1  .375    0  .25 .3167
Sn2  .375    0  .25 .0166
O1   .963 .049 .155
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Ca3 Ga2 O12 Si0.05 Sn2.95
 
Rulmont A, Tarte P, Cartie B, Choisnet J
 
Journal of Solid State Chemistry 104 (1993) 165-176
Solid solutions Ca3Sn2+xSi(Ge)1-xGa2O12 (0
tetrahedral coordination of Sn^4+^ in the garnet structure
_cod_database_code 1001563
_database_code_amcsd 0013775
12.679 12.679 12.679 90 90 90 Ia3d
atom    x    y    z   occ
Ca1  .125    0  .25
Sn1     0    0    0
Ga1  .375    0  .25 .6667
Si1  .375    0  .25 .0166
Sn2  .375    0  .25 .3167
O1   .966 .048 .153
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Li2 O6 Te Zr
 
Archaimbault F, Choisnet J, Rulmont A, Tarte P
 
Materials Chemistry and Physics 30 (1992) 245-252
Lithium defect and ordering phenomena in the new LiNbO3 like mixed
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5)
_cod_database_code 1001502
_database_code_amcsd 0014204
5.172 5.172 13.847 90 90 120 R3
atom    x    y    z
Li1     0    0  .29
Li2     0    0  .76
Zr1     0    0 .993
Te1     0    0   .5
O1   .049 .355 .077
O2   .652 .962 .576
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Li2 O6 Te Zr
 
Archaimbault F, Choisnet J, Rulmont A, Tarte P
 
Materials Chemistry and Physics 30 (1992) 245-252
Lithium defect and ordering phenomena in the new LiNbO3 like mixed
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5)
_cod_database_code 1001503
_database_code_amcsd 0014205
5.1732 5.1732 13.8508 90 90 120 R3
atom    x   y     z
Li1     0   0  .286
Li2     0   0  .765
Zr1     0   0 .0002
Te1     0   0 .4942
O1   .056 .36  .071
O2   .646 .96  .577
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Li1.75 Nb0.25 O6 Te Zr0.75
 
Archaimbault F, Choisnet J, Rulmont A, Tarte P
 
Materials Chemistry and Physics 30 (1992) 245-252
Lithium defect and ordering phenomena in the new LiNbO3 like mixed
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5)
_cod_database_code 1001504
_database_code_amcsd 0014206
5.167 5.167 13.795 90 90 120 R3
atom    x    y    z occ
Li1     0    0  .30 .95
Li2     0    0  .76  .8
Zr1     0    0 .989 .75
Nb1     0    0 .989 .25
Te1     0    0 .501
O1   .049 .351 .084
O2   .655 .962 .575
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Li1.75 Nb1.75 O6 Te0.25
 
Archaimbault F, Choisnet J, Rulmont A, Tarte P
 
Materials Chemistry and Physics 30 (1992) 245-252
Lithium defect and ordering phenomena in the new LiNbO3 like mixed
tellurates: Li2-x(Zr^4+^,Nb^5+^,Te^6+^)2O6 (x<0.5)
_cod_database_code 1001505
_database_code_amcsd 0014207
5.148 5.148 13.763 90 90 120 R3c
atom    x    y    z  occ
Li1     0    0  .29 .875
Nb1     0    0 .984 .875
Te1     0    0 .984 .125
O1   .063 .369 .683
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La2 Mg O6 Pt
 
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M
 
Materials Chemistry and Physics 51 (1997) 117-124
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
_cod_database_code 1001823
_database_code_amcsd 0014210
5.5919 5.6277 7.9140 90 90. 90 P2_1/n
atom     x     y     z   occ
La1  .5062 .5396 .2493
Mg1     .5     0     0 .9975
Pt1     .5     0     0 .0025
Mg2      0    .5     0 .0025
Pt2      0    .5     0 .9975
O1    .197  .211  .937
O2    .286  .701  .938
O3    .398  .981  .257
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La2 Ni O6 Pt
 
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M
 
Materials Chemistry and Physics 51 (1997) 117-124
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
_cod_database_code 1001824
_database_code_amcsd 0014211
5.5741 5.6304 7.8973 90 90. 90 P2_1/n
atom    x     y     z  occ
La1  .501 .5461 .2494
Ni1    .5     0     0 .983
Pt1    .5     0     0 .017
Ni2     0    .5     0 .017
Pt2     0    .5     0 .983
O1   .209  .219  .939
O2   .285  .706  .944
O3   .398  .980  .254
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La2 O6 Pt Zn
 
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M
 
Materials Chemistry and Physics 51 (1997) 117-124
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
_cod_database_code 1001825
_database_code_amcsd 0014212
5.5944 5.6879 7.9351 90 90. 90 P2_1/n
atom     x     y     z  occ
La1  .5130 .5487 .2494
Zn1     .5     0     0 .999
Pt1     .5     0     0 .001
Zn2      0    .5     0 .001
Pt2      0    .5     0 .999
O1    .208  .226  .932
O2    .278  .706  .934
O3    .387  .980  .258
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Co La2 O6 Pt
 
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M
 
Materials Chemistry and Physics 51 (1997) 117-124
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
_cod_database_code 1001826
_database_code_amcsd 0014213
5.5722 5.6459 7.8906 90 90. 90 P2_1/n
atom     x     y     z  occ
La1  .5138 .5452 .2493
Co1     .5     0     0 .914
Pt1     .5     0     0 .086
Co2      0    .5     0 .086
Pt2      0    .5     0 .914
O1    .204  .216  .942
O2    .291  .697  .955
O3    .403  .972  .255
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Co O6 Pr2 Pt
 
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M
 
Materials Chemistry and Physics 51 (1997) 117-124
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
_cod_database_code 1001827
_database_code_amcsd 0014214
5.4833 5.7043 7.7842 90 90. 90 P2_1/n
atom     x     y     z occ
Pr1  .5138 .5603 .2497
Co1     .5     0     0 .95
Pt1     .5     0     0 .05
Co2      0    .5     0 .05
Pt2      0    .5     0 .95
O1    .200  .214  .938
O2    .294  .698  .958
O3    .391  .963  .257
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Co Nd2 O6 Pt
 
Ouchetto K, Archaimbault F, Choisnet J, Et-Tabirou M
 
Materials Chemistry and Physics 51 (1997) 117-124
New ordered and distorted perovskites: the mixed platinates Ln2 M Pt O6
(Ln = La, Pr, Nd, Sm, Eu, Gd; M = Mg, Co, Ni, Zn)
_cod_database_code 1001828
_database_code_amcsd 0014215
5.4416 5.6975 7.7495 90 90. 90 P2_1/n
atom    x     y     z occ
Nd1  .509 .5706 .2507
Co1    .5     0     0 .96
Pt1    .5     0     0 .04
Co2     0    .5     0 .04
Pt2     0    .5     0 .96
O1   .194  .212  .951
O2   .294  .702  .941
O3   .389  .965  .256
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Ba Ge2.5 O9 Si1.5
 
Goreaud M, Choisnet J, Deschanvres A, Raveau B
 
Materials Research Bulletin 8 (1973) 1205-1214
Synthese et Evolution Structurale de Nouveaux Silicogermanates
BaGe(Ge3-xSix)O9 de Type Benitoite et de Structure Apparentee
_cod_database_code 1001065
_database_code_amcsd 0014236
6.667 6.667 9.703 90 90 120 P-6c2
atom     x     y     z occ
Ba1    2/3   1/3     0
Si1  .0993 .3105   .25  .5
Ge1    1/3   2/3     0
Ge2  .0993 .3105   .25  .5
O1    .234 .1882   .25
O2   .1129 .4585 .1203
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Ba Ge3.125 O9 Si0.875
 
Goreaud M, Choisnet J, Deschanvres A, Raveau B
 
Materials Research Bulletin 8 (1973) 1205-1214
Synthese et Evolution Structurale de Nouveaux Silicogermanates
BaGe(Ge3-xSix)O9 de Type Benitoite et de Structure Apparentee
_cod_database_code 1001066
_database_code_amcsd 0014237
11.595 11.595 9.755 90 90 120 P31c
atom     x     y     z   occ
Ba1    1/3   1/3     0
Si1  .1475 .4963 .2728 .2917
Si2  .0405 .2098 .2282 .2917
Si3  .8192 .2768  .256 .2917
Ge1      0     0     0
Ge2    1/3   2/3     0
Ge3    1/3   2/3    .5
Ge4  .1475 .4963 .2728 .7083
Ge5  .0405 .2098 .2282 .7083
Ge6  .8192 .2768  .256 .7083
O1   .1741  .368   .24
O2   .8632 .1642   .25
O3   .9725 .4203 .2176
O4      .2 .6058  .124
O5    .176 .5995 .4084
O6    .752 .2607  .103
O7   .6925 .2097  .394
O8   .0747 .1507 .0946
O9   .0947 .1707 .3922
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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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