American Mineralogist Crystal Structure Database

82 matching records for this search.

Rubicline
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=27&spage=854
Acta Crystallographica B27 (1971) 854-855
Structure cristalline de RbAlSi3O8
_cod_database_code 1001771
_database_code_amcsd 0009393
8.82 12.992 7.161 90 116.4 90 C2/m
atom     x     y     z occ
Rb1  .2958     0 .1468
Al1  .0104 .1904 .2227 .25
Al2  .7227 .1195 .3440 .25
Si1  .0104 .1904 .2227 .75
Si2  .7227 .1195 .3440 .75
O1       0 .1525     0
O2    .664     0  .283
O3    .832 .1596  .226
O4   .0464 .3145  .263
O5   .1682 .1283  .403
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Na0.82 Nb2 O6.76 U0.45
 
Chevalier R, Gasperin M
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Acta Crystallographica B28 (1972) 985-986
Mise en evidence d'une transformation ordre-desordre dans un cristal de
type pyrochlore.
_cod_database_code 1001183
_database_code_amcsd 0009430
10.4 10.4 10.4 90 90 90 Fd3m
atom    x    y    z  occ
U1   .625 .625 .625 .225
Na1  .625 .625 .625  .41
Nb1  .125 .125 .125
O1     .5   .5   .5  .76
O2   .187    0    0
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TlNbB2O6
 
Gasperin M
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Acta Crystallographica B30 (1974) 1181-1183
Synthese et structure d'un oxyde multiple d'un type nouveau: TlNbB2O6
_cod_database_code 1001024
_database_code_amcsd 0009504
7.82 9.46 7.40 90 90 90 Pn2_1a
atom     x     y     z
Tl1  .0008   .25 .2567
Nb1  .1617 .6348 .2402
O1    .344  .298  .914
O2    .288  .985  .247
O3    .144  .494  .441
O4    .270  .285  .566
O5    .772  .990  .939
O6    .558  .139  .692
B1    .766  .425  .589
B2    .212  .419  .589
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La2 O7 Ti2
 
Gasperin M
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Acta Crystallographica B31 (1975) 2129-2130
Dititanate de lanthane
_cod_database_code 1001022
_database_code_amcsd 0009540
7.800 13.011 5.546 90 90 98.60 P2_1
atom     x     y     z
La1  .2789 .1138   .25
La2  .7741 .0993 .2543
La3  .3502 .3909 .8026
La4  .8525 .4164 .8413
Ti1  .0320 .1191 .7630
Ti2  .5271 .1200 .7598
Ti3  .0780 .3228 .2946
Ti4  .5833 .3263 .2975
O1    .776  .109  .799
O2    .275  .090  .698
O3    .030  .016  .024
O4    .479  .020  .026
O5    .098  .226  .969
O6    .517  .229  .963
O7    .033  .187  .460
O8    .559  .189  .455
O9    .089  .409  .554
O10   .613  .398  .569
O11   .121  .432  .078
O12   .599  .440  .089
O13   .327  .312  .323
O14   .825  .300  .221
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K3Nb3B2O12
 
Choisnet J, Groult D, Raveau B, Gasperin M
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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
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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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TlNb3.09O8.22
 
Gasperin M
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Acta Crystallographica B33 (1977) 2306-2308
Un niobate de thallium de type 'bronze hexagonal' excedentaire en cations
_cod_database_code 1001010
_database_code_amcsd 0009597
7.551 13.005 7.734 90 90 90 C222_1
atom     x      y     z  occ
Tl1  .0666  .0054 .2625  .16
Tl2  .0280 -.0257 .2599  .24
Tl3  .0303  .0340 .2233   .1
Nb1  .5034      0     0
Nb2  .2497  .2481 .0009
Nb3      0  .3428   .25  .09
O1       0  .5315   .25 .406
O2   .7936  .2200 .2518 .908
O3   .4976  .2845 .0526
O4   .1802  .3952 .0341
O5   .1888  .3951 .4545
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La6 O18 Re4
 
Besse J, Baud G, Chevalier R, Gasperin M
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Acta Crystallographica B34 (1978) 3532-3535
Structure Cristalline d'Oxydes Doubles de Rhenium. II.L'Oxyde de
Lanthane-Rhenium La6 Re4 O18
_cod_database_code 1001202
_database_code_amcsd 0009649
6.858 11.198 5.673 105.32 111.17 92.94 P-1
atom     x     y     z
Re1  .1122 .0909 .6003
Re2  .6219 .4283 .0730
La1  .9055 .3804 .6622
La2  .7248 .7295 .7274
La3  .6659 .1178 .8972
O1   .3218 .4264 .0475
O2   .6909 .9346 .0856
O3   .9155 .4073 .1103
O4   .0207 .8160 .1787
O5   .6151 .2887 .2235
O6   .4442 .6869 .2697
O7   .9904 .1872 .3698
O8   .7492 .5367 .4224
O9   .3264 .0726 .4555
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F6 Na2 U
 
Cousson A, Tabuteau A, Pages M, Gasperin M
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Acta Crystallographica B35 (1979) 1198-1200
Disodium uranium(IV) fluoride
_cod_database_code 1001038
_database_code_amcsd 0009667
6.112 6.112 7.240 90 90 120 P3
atom     x     y     z
U1     1/3 .6666 .8579
U2   .6666   1/3 .1394
Na1      0     0 .0313
Na2      0     0 .5111
Na3    1/3   2/3 .4141
Na4    2/3   1/3 .6213
F1   .3166 .9191 .1083
F2   .7157 .0911 .3459
F3   .0924 .3946 .6354
F4   .6991 .0800 .9029
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Nb7 O18.25 Tl0.96
 
Bhide V, Gasperin M
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Acta Crystallographica B35 (1979) 1318-1321
A new GTB-type thallium niobate
_cod_database_code 1001037
_database_code_amcsd 0009669
27.50 27.50 3.94 90 90 90 P4/mbm
atom     x     y  z occ
Nb1     .5     0  0
Nb2  .1986 .6986  0
Nb3  .2328 .9379  0
Nb4  .3678 .9642  0
Nb5  .0664 .7212  0
Nb6  .1583 .8260  0
Nb7  .0382 .8390  0
Nb8  .0864 .9484  0
Nb9      0     0  0  .6
Nb10 .3840 .8842 .5  .2
O1       0    .5 .5
O2   .1976 .6976 .5
O3   .2280 .9377 .5
O4   .3653 .9601 .5
O5   .0652 .7215 .5
O6   .1575 .8273 .5
O7   .0381 .8397 .5
O8   .0791 .9500 .5
O9   .3992 .8992  0
O10  .2082 .8718  0
O11  .2997 .9302  0
O12  .1954 .7684  0
O13  .1044 .8780  0
O14  .0208 .9144  0
O15  .1562 .9621  0
O16  .0944 .7904  0
O17  .0107 .7684  0
O18  .1271 .6932  0
O19  .0277 .6652  0
O20  .4283 .9996  0
Tl1  .1084 .6084 .5 .28
Tl2  .0776 .5925 .5 .36
Tl3  .3426 .8556 .5 .24
Tl4  .3268 .8632 .5 .06
Tl5  .2608 .8030 .5 .02
Tl6  .2697 .7822 .5 .14
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F29 Na3 Th6 Zn
 
Cousson A, Tabuteau A, Pages M, Gasperin M
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Acta Crystallographica B35 (1979) 2674-2676
Fluorure complexe de thorium, sodium et zinc
_cod_database_code 1001047
_database_code_amcsd 0009694
10.116 10.116 13.255 90 90 120 P321
atom     x     y     z occ
Th1  .4028 .0794 .1491
Th2  .4007 .3235 .6484
Zn1      0     0     0
Zn2      0     0    .5
Na1      0     0 .2624
Na2    1/3   2/3 .0893
Na3    1/3   2/3 .6012
F1   .1315 .4369 .0348
F2   .2040 .0898 .0927 .66
F3   .5228 .3404 .1178
F4   .1195 .5861 .2005
F5   .1229 .3166 .2231
F6   .5244 .1111 .3086
F7   .3142 .1933 .2652
F8   .1510 .4948 .3989
F9    .084 .8949 .4104
F10  .4433 .3134 .4661
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Cs2 Nb4 O11
 
Gasperin M
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Acta Crystallographica B37 (1981) 641-643
Structure du Niobate de Cesium Cs2 Nb4 O11
_cod_database_code 1001171
_database_code_amcsd 0009732
10.484 28.898 7.464 90 90 90 P2nn
atom      x      y      z
Cs1   .0879  .0752 -.0021
Cs2   .1084  .3080 -.0089
Cs3   .3777  .0753  .4983
Cs4   .3566  .3082  .4958
Nb1   .4939  .3752  .0025
Nb2   .2253  .1873  .2309
Nb3   .7422  .3106  .2340
Nb4   .2309  .4384  .2461
Nb5      .5      0      0
Nb6  -.0400      0     .5
Nb7   .4713  .1260  .0026
Nb8   .4853  .2489  .0052
Nb9   .7329  .0611  .2526
O1    .0506  .3155  .5019
O2    .0621  .0523  .5005
O3    .1099  .4999  .2932
O4    .1075  .1344  .3106
O5    .1126  .2340  .3199
O6    .0961  .4013  .3068
O7    .1126  .1345  .6873
O8    .1104  .2340  .6798
O9    .0944 .40010  .6897
O10   .1755  .1854  .0011
O11   .1877  .4460 -.0020
O12   .3016  .1851  .4983
O13   .2852  .4485  .5011
O14   .3589  .1394  .1774
O15   .3615  .2328  .1869
O16   .3634  .3996  .1861
O17   .3580  .4998  .1944
O18   .3537  .1393  .8240
O19   .3652  .2330  .8124
O20   .3635  .3994  .8163
O21   .4072  .0500  .0013
O22   .4254  .3164  .0028
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H N S7
 
Gasperin M, Freymann R, Garcia-Fernandez H
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Acta Crystallographica B38 (1982) 1728-1731
Les Complexes a Transfert de Charge Octasoufre - Sulfurimine. Etude
Structurale du Compose Octasoufre - Cyclotetraazathiane (3:1)
_cod_database_code 1001159
_database_code_amcsd 0009767
8.440 13.034 8.203 90 112.49 90 P2/c
atom      x     y      z  occ
S1    .4577 .8935  .1504 .875
S2    .1193 .7976  .1992 .875
S3   -.0224 .0308  .2203 .875
S4    .3193 .1271  .1702 .875
S5    .8401 .5793  .0292 .875
S6    .7130 .4430 -.0322 .875
S7    .8239 .3458  .1757 .875
S8    .6996 .6769  .1156 .875
N1    .4577 .8935  .1504 .125
N2    .1193 .7976  .1992 .125
N3   -.0224 .0308  .2203 .125
N4    .3193 .1271  .1702 .125
N5    .8401 .5793  .0292 .125
N6    .7130 .4430 -.0322 .125
N7    .8239 .3458  .1757 .125
N8    .6996 .6769  .1156 .125
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KNb3O8
 
Gasperin M
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Acta Crystallographica B38 (1982) 2024-2026
Structure du Triniobate(V) de Potassium KNb3O8, un Niobate Lamellaire
_cod_database_code 1001208
_database_code_amcsd 0009776
8.903 21.16 3.799 90 90 90 Amam
atom     x     y z
Nb1  .9403 .3682 0
Nb2    .25 .2416 0
K1     .25 .9845 0
O1   .4080 .1565 0
O2   .0654 .4311 0
O3   .0951 .2954 0
O4     .25 .7134 0
O5     .25 .5851 0
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F15 Fe Na Np3
 
Cousson A, Abazli H, Pages M, Gasperin M
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Acta Crystallographica B38 (1982) 2668-2670
Structure de Na Fe Np3 F15
_cod_database_code 1001226
_database_code_amcsd 0009778
9.802 9.802 13.004 90 90 120 P-3c1
atom      x      y      z occ
Np1  .39964 .07624 .10161
F1    .1194  .3120  .0192
F2    .4143  .5330  .0524
F3    .6593  .1691  .1366
F4    .1931  .0853  .1591
F5    .1313  .4425  .2169
Fe1       0      0    .25
Na1       0      0      0
Na2     1/3    2/3  .1534  .5
Fe2     1/3    2/3  .1534  .5
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F13 Na Np3
 
Cousson A, Abazli H, Pages M, Gasperin M
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Acta Crystallographica C39 (1983) 318-320
Fluorure de neptunium et de sodium: Na Np3 F13
_cod_database_code 1001843
_database_code_amcsd 0009972
8.022 8.022 16.51299 90 90 120 P6_3/mmc
atom     x      y     z
Np1  .1619 -.1619 .1129
Na1    1/3    2/3 .9104
F1   .1350 -.1350   .25
F2   .5385 -.5385 .8358
F3   .3305      0     0
F4     1/3    2/3 .0571
F5       0      0 .0862
F6   .1680 -.1680 .8521
F7     1/3    2/3   .75
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F12 H2 Np3 O
 
Cousson A, Abazli H, Pages M, Gasperin M
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Acta Crystallographica C39 (1983) 425-427
Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O
_cod_database_code 1001844
_database_code_amcsd 0009974
8.455 8.858 8.396 113.83 116.64 58.03 P1
atom     x     y     z
Np1    .15  .185  .685
Np2  .9440 .2298 .1070
Np3  .4016 .3803 .2242
Np4  .8475 .8135 .3134
Np5  .0574 .7243 .8802
Np6  .5670 .6070 .7299
F1    .178  .932  .086
F2    .936  .852  .129
F3    .166  .627  .354
F4    .065  .183  .395
F5    .538  .579  .443
F6    .985  .004  .508
F7    .696  .294  .191
F8    .232  .251  .224
F9    .830  .037  .889
F10   .060  .159  .884
F11   .836  .383  .651
F12   .911  .794  .597
F13   .481  .381  .538
F14   .297  .690  .797
F15   .777  .706  .760
F16   .342  .573  .074
F17   .703  .401  .903
F18   .609  .103  .292
F19   .357  .890  .679
F20   .657  .751  .023
F21   .379  .200  .954
F22   .890  .523   .25
F23   .127  .450  .703
F24   .073  .479  .979
O1    .563  .827  .341
O2    .452  .125  .634
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Cs3 Nb5.96 O16.4
 
Saine M, Gasperin M
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Acta Crystallographica C39 (1983) 1153-1156
Synthese et Structure d'un Niobate de Cesium non Stoechiometrique,
Cs3 Nb5.96 O16.4
_cod_database_code 1001255
_database_code_amcsd 0009983
18.315 24.506 7.296 90 90 90 Amam
atom      x       y      z  occ
Nb1  .08099  .11397 .24915
Nb2     .25  .57715      0
Nb3       0       0      0
Nb4  .08869  .86907      0
Nb5  .16522  .72453      0
Nb6     .25  .33381 .20729  .51
Nb7  .23709  .33539 .24895 .175
Nb8     .25  .34215 .28934   .1
Cs1     .25  .17463  .0282   .5
Cs2  .09713  .45458      0
Cs3  .04993  .27127      0
Cs4     .25 -.00615      0
O1    .1092   .1327      0
O2    .0478   .6119      0
O3    .0479   .0432  .1901
O4   -.0212   .1424  .1882
O5    .1758   .5896  .1928
O6    .1154   .6943  .1941
O7    .0810   .9466      0
O8      .25   .6726      0
O9      .25   .5074      0
O10   .1166   .7900      0
O11   .3264   .3744  .3013
O12     .25   .2631  .3158
O13   .2137   .3243      0   .4
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Ba2Ti3Nb4O18
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=40&spage=9
Acta Crystallographica C40 (1984) 9-11
Syntheses and Structure of a New Titanoniobate: The
Trititanotetraniobate of Dibarium, Ba2Ti3Nb4O18
_cod_database_code 1001269
_database_code_amcsd 0009989
10.000 9.959 7.315 90 111.29 90 P2_1/c
atom      x      y      z occ
Ba1  .20448 .08876 .06374
Nb1  .10467 .75127 .35107
Ti1       0     .5      0
Nb2   .5182  .2697  .5095  .5
Ti2   .5182  .2697  .5095  .5
Nb3   .3795  .0151  .6055  .5
Ti3   .3795  .0151  .6055  .5
O1    .4047  .0907  .8515
O2    .5814   .084  .6211
O3    .8074  .0709  .4761
O4    .9843  .0883  .2516
O5    .0697  .1617  .6458
O6    .3237  .1719  .4633
O7    .5096  .1626  .2545
O8    .7001  .1740  .0459
O9    .8990  .1688  .8755
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Np3F12H2O
 
Cousson A, Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=41&spage=804
Acta Crystallographica C41 (1985) 804-805
Nouvelle description du tetrafluorure de neptunium hydrate, Np3F12H2O
_cod_database_code 1001332
_database_code_amcsd 0010008
12.023 11.723 8.435 90 128.77 90 Cm
atom      x     y     z
Np1   .1858     0  .337
Np2   .8141     0 .6628
Np3   .0534 .3277 .7845
Np4  -.0801 .6881 .1771
F1    .2599 .6748 .1118
F2    .2390 .6106 .7967
F3    .5369 .6474 .2615
F4    .4885 .8075 .9925
F5    .4877 .7641 .4868
F6    .2101 .8225 .8685
F7    .2599 .8855 .2148
F8    .9429 .8472 .7191
F9    .1408 .6170 .4113
F10   .3256 .8707 .5894
F11   .0048     0 .9988
F12   .5740     0 .9229
F13   .4019     0 .1113
F14   .4703     0 .5582
O1    .8434     0 .4040
O2    .1307     0 .5784
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Cs0.75 K0.25 Nb O11 Ti U2
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=42&spage=136
Acta Crystallographica C42 (1986) 136-138
(Cs.75 K.25) (Nb, Ti) U2 O11: un Niobotitanouranate Alcalin de
Type Sructural Nouveau
_cod_database_code 1001337
_database_code_amcsd 0010026
7.630 10.923 13.609 90 90 90 Amam
atom     x      y     z  occ
U1     .25 .22691 .2691
Nb1      0      0 .3692   .5
Ti1      0      0 .3692   .5
Cs1      0      0     0  .75
O1       0     .5     0  .75
O2   .0488  .3994     0 .125
O3     .25  .8161 .1248
O4     .25  .1397 .1502
O5     .25  .5413 .1467
O6   .0347  .3532 .1994
K1   .0188  .1584     0 .125
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CsNbUO6
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=404
Acta Crystallographica C43 (1987) 404-406
Synthese et structure du niobouranate de cesium:CsNbUO6
_cod_database_code 1001338
_database_code_amcsd 0010034
7.430 8.700 10.668 90 105.08 90 P2_1/c
atom      x      y      z
U1   .01284 .98185 .32143
Nb1   .1135 .15138 .05572
Cs1   .5409  .2289 .86097
O1    .7722  .0231  .2677
O2    .7415   .059  .6279
O3    .9654  .0574  .8888
O4    .0314  .1464  .4937
O5    .3475  .1341  .0709
O6    .0751  .2132  .2216
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B2 Ca O10 U2
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=1247
Acta Crystallographica C43 (1987) 1247-1250
Synthese et structure du borouranate de calcium: Ca B2 U2 O10.
_cod_database_code 1001347
_database_code_amcsd 0010039
16.512 8.169 6.582 90 96.97 90 C2
atom      x      y      z occ
U1        0      0      0
U2        0  .5001      0
U3   .12015  .0005 .55893
Ca1   .3370 -.0041  .4172
B1    .1966 -.0078  .0767
B2    .3032  .0004  .8386
O1    .1891 -.0044  .2788
O2    .4503 -.0129  .2290
O3    .2778  .0019  .0316
O4    .8673  .0067  .0725
O5    .3813  .0166  .8072
O6    .6076  .2768  .5421
O7    .0095  .0293  .3109
O8    .2507  .0399  .6747
O9    .1382   .217  .5818
O10   .0108  .2267  .0553  .5
O11  -.0107  .7694 -.0372  .5
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B2 O6 U
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=2031
Acta Crystallographica C43 (1987) 2031-2033
Structure du borate d'uranium U B2 O6
_cod_database_code 1001345
_database_code_amcsd 0010054
12.504 4.183 10.453 90 122.18 90 C2/c
atom     x     y     z
U1       0 .2407   .25
B1   .3013 .1484 .2509
O1   .1026 .2433 .7562
O2   .2983 .1830 .7614
O3   .0893 .2439 .4487
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B2 Mg O7 U
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=2264
Acta Crystallographica C43 (1987) 2264-2266
Synthese et structure du diborouranate de magnesium, Mg B2 U O7.
_cod_database_code 1001360
_database_code_amcsd 0010060
9.747 7.315 7.911 90 90 90 Pcam
atom     x     y     z
U1   .0501 .2255   .25
Mg1  .4519 .2353   .25
B1   .2135 .5318   .25
B2   .2581 .8739   .25
O1   .2685 .3623   .25
O2   .8686 .0169   .25
O3   .0484 .2278 .4764
O4   .0750 .5444   .25
O5   .7997 .3147   .25
O6   .6268 .0745   .25
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B Na O5 U
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=44&spage=415
Acta Crystallographica C44 (1988) 415-416
Synthese et structure du borouranate de sodium, Na B U O5.
_cod_database_code 1001359
_database_code_amcsd 0010067
10.712 5.780 6.862 90 90 90 Pcam
atom     x     y     z
U1   .0674 .0979   .25
Na1    .25 .5999     0
B1   .8519 .7967   .25
O1   .4123 .1288 .4173
O2   .6682 .1528   .25
O3   .2426 .3185   .25
O4   .4649 .6544   .25
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B4 Ni7 O16 U
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=45&spage=981
Acta Crystallographica C45 (1989) 981-983
Synthese et structure du tetraborouranate de nickel, Ni7 B4 U O16
_cod_database_code 1001392
_database_code_amcsd 0010077
5.861 20.200 4.501 90 90 90 Pmnn
atom     x     y     z
U1       0     0     0
Ni1      0    .5     0
Ni2      0 .2628 .4996
Ni3  .2488 .1289 .4980
B1       0 .5874 .5528
B2       0 .1921  .051
O1   .1981 .2050 .2041
O2       0 .1765 .7455
O3       0 .3466 .2746
O4   .2911 .0510 .7846
O5       0 .0704 .2856
O6       0 .5859 .2499
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LiBUO5
 
Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=46&spage=372
Acta Crystallographica C46 (1990) 372-374
Synthese et structure du borouranate de lithium LiBUO5
_database_code_amcsd 0010111
5.767 10.574 6.835 90 105.04 90 P2_1/c
atom     x     y     z Biso
U    .0985 .0654 .2710   .7
B    .2167 .1441 .7976   .6
Li   .5583 .2320 .6242  1.2
O1   .1519 .0847 .9532   .9
O2   .8521 .1734 .2128  1.3
O3   .1373 .0895 .6114   .9
O4   .6651 .0506 .6777  1.1
O5   .3506 .2427 .3302   .9
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B2 O5 Th
 
Cousson A, Gasperin M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=10
Acta Crystallographica C47 (1991) 10-12
Synthese et structure du borate de thorium: ThB2O5
_cod_database_code 1001443
_database_code_amcsd 0010246
11.545 6.937 10.263 90 101.5 90 C2/c
atom     x     y     z
Th1  .1820 .2007 .3066
B1   .0232 .2677 .5038
B2   .3656 .1940 .1295
O1   .3162 .0290 .1924
O2   .1902 .1371 .8376
O3   .6441 .2463 .0343
O4   .0271 .1956 .1288
O5   .4660 .1748 .0895
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Bi K9 O24 U6
 
Gasperin M, Rebizant J, Dancausse J, Meyer D, Cousson A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=47&spage=2278
Acta Crystallographica C47 (1991) 2278-2279
Structure de K9BiU6O24
_cod_database_code 1001509
_database_code_amcsd 0010265
8.631 8.631 8.631 90 90 90 Pm3m
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
U1      .5     0     0    .70    .41    .41      0      0      0
U2       0    .5    .5    .51    .37    .37      0      0      0
Bi1     .5    .5    .5    .89    .89    .89      0      0      0
K1   .2478 .2478 .2478    1.5    1.5    1.5     .2     .2     .2
O1      .5     0  .254    1.6    1.7     .8      0      0      0
O2      .5  .232    .5    1.4     .9    1.4      0      0      0
O3    .282     0     0    1.0    1.8    1.8      0      0      0
K2       0     0     0    2.7    2.7    2.7      0      0      0
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Vivianite
Download hom/vivianite.pdf
Fejdi P, Poullen J F, Gasperin M
 
Bulletin de Mineralogie 103 (1980) 135-138
Affinement de la structure de la vivianite Fe3(PO4)2*8H2O
Locality: synthetic
_database_code_amcsd 0012069
10.086 13.441 4.703 90 104.27 90 C2/m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1      0     0     0   .7  .0011  .0015  .0087      0  .0005      0
Fe2      0 .3898     0   .7  .0015  .0012  .0089      0  .0014      0
P    .3139     0 .3751   .8  .0015  .0015  .0093      0  .0012      0
O1   .1579     0 .3632   .9  .0012  .0022  .0099      0  .0010      0
O2   .3906     0 .6981   .8  .0020  .0014  .0084      0  .0002      0
O3   .3449 .0954 .2224   .9  .0020  .0012  .0124      0  .0021  .0005
Wat1 .1019 .1172 .7994  1.2  .0024  .0019  .0155 -.0001  .0019  .0001
Wat2 .3962 .2246 .7114  1.5  .0045  .0020  .0160  .0005  .0018  .0012
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Metavivianite
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Dormann J, Gasperin M, Poullen J F
 
Bulletin de Mineralogie 105 (1982) 147-160
Etude structurale de la sequence d'oxydation de la vivianite Fe3(PO4)2*8(H2O)
_database_code_amcsd 0012078
7.84 9.11 4.67 95.04 96.94 107.72 P-1
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1      0     0     0   .4  .0030  .0019  .0000  .0008  .0029  .0018
Fe2  .3708 .5921 .4908   .6  .0030  .0035  .0008  .0018  .0055  .0022
P    .6906 .6717 .0456   .6  .0049  .0026  .0000 -.0016  .0007  .0006
O1   .2449 .4449 .1257  1.3
O2   .4521 .2831 .1439   .9
O3   .8490 .8192 .1651  1.3
Wat4 .9169 .1356 .2658  1.9
Wat5 .3736 .7891 .2952  1.8
Wat6 .2094 .0039 .2992  1.1
O7   .6135 .6050 .3098   .3
Wat8 .8525 .4076 .3337  1.9
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CaTa2O6
 
Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21
Contribution a l'etude de quelques oxydes doubles que forme le tantale
avec l'etain, l'uranium et le calcium.
_cod_database_code 1001184
_database_code_amcsd 0012110
3.875 3.875 3.875 90 90 90 Pm3m
atom  x  y  z occ
O1    0 .5 .5
Ca1   0  0  0  .5
Ta1  .5 .5 .5
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O3 Sn0.25 Ta
 
Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21
Contribution a l'etude de quelques oxydes doubles que forme le tantale
avec l'etain, l'uranium et le calcium.
_cod_database_code 1001185
_database_code_amcsd 0012111
3.88 3.88 3.88 90 90 90 Pm3m
atom  x  y  z occ
O1    0 .5 .5
Sn1   0  0  0 .25
Ta1  .5 .5 .5
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Ca0.91 O3 Ta0.84
 
Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21
Contribution a l'etude de quelques oxydes doubles que forme le tantale
avec l'etain, l'uranium et le calcium.
_cod_database_code 1001186
_database_code_amcsd 0012112
3.96 3.96 3.96 90 90 90 Pm3m
atom  x  y  z occ
O1    0 .5 .5
Ca1   0  0  0 .91
Ta1  .5 .5 .5 .84
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Uranmicrolite
Download hom/uranmicrolite.pdf
Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21
Contribution a l'etude de quelques oxydes doubles que forme le tantale
avec l'etain, l'uranium et le calcium.
_cod_database_code 1001776
_database_code_amcsd 0012113
10.37 10.37 10.37 90 90 90 Fd3m
atom    x    y    z occ
Ta1  .125 .125 .125
U1   .625 .625 .625  .5
O1     .5   .5   .5
O2    .20    0    0
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Oxystannomicrolite
 
Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21
Contribution a l'etude de quelques oxydes doubles que forme le tantale
avec l'etain, l'uranium et le calcium.
_cod_database_code 1001840
_database_code_amcsd 0012114
10.470 10.470 10.470 90 90 90 Fd3m
atom    x    y    z
Ta   .125 .125 .125
Sn   .625 .625 .625
O1     .5   .5   .5
O2     .2    0    0
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Cl2 O4 Pb4
 
Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 87 (1964) 278-280
Sur la synthese d'un oxychlorure de plomb
_cod_database_code 1001200
_database_code_amcsd 0012116
3.91 3.91 13. 90 90 90 I4/mmm
atom x  y    z
Pb1  0  0 .150
O1   0 .5  .25
Cl1  0  0   .5
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Ba5.5 O60 Ta21.8
 
Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 90 (1967) 172-175
Structure cristalline du bronze de tungstene: Ba O (Ta2 O5)2
_cod_database_code 1001160
_database_code_amcsd 0012124
17.60 17.60 3.905 90 90 90 P4
atom    x    y  z  occ
Ba1  .075 .254  0  .55
Ba2  .425 .254  0  .55
Ba3     0    0  0  .55
Ba4    .5   .5  0  .55
Ta1  .252 .249 .5
Ta2  .143 .067 .5
Ta3  .365  .43 .5
Ta4  .432  .86 .5
Ta5  .068 .638 .5
Ta6  .075  .25 .5 .225
Ta7  .426  .25 .5 .225
O1   .251  .25  0
O2   .362 .436  0
O3   .434 .861  0
O4   .152 .058  0
O5   .058 .638  0
O6   .051 .098 .5
O7   .172 .177 .5
O8   .458 .122 .5
O9   .533 .249 .5
O10  .675  .17 .5
O11  .249 .031 .5
O12  .325 .177 .5
O13   .67  .33 .5
O14  .597 .033 .5
O15  .469 .388 .5
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O5 U V
 
Chevalier R, Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 93 (1970) 18-22
Structure cristalline de U V O5
_cod_database_code 1001150
_database_code_amcsd 0012130
12.31 7.19 4.115 90 90 90 Pbma
atom     x    y     z
U1   .0273  .25 .0137
V1     .75    0 .1134
O1    .029  .25  .511
O2     .25    0  .513
O3    .717  .25  .026
O4    .599 .538  .008
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Aeschynite-(La)
 
Fauquier D, Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 93 (1970) 258-259
Synthese de monocristaux et etude structurale de La Nb Ti O6
_cod_database_code 1001722
_database_code_amcsd 0012132
10.934 7.572 5.446 90 90 90 Pnma
atom     x      y     z occ
La1  .0421    .25 .5403
Nb1  .1445 -.0057 .0362  .5
Ti1  .1445 -.0057 .0362  .5
O1   -.026   .033  .228
O2     .21   .051  .374
O3    .144    .25 -.019
O4    .128   -.25  .126
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Cl Na O3
 
Meyer D, Gasperin M
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 96 (1973) 18-20
Etude Structurale d'une Phase haute Temperature instable du Chlorate de Sodium
_cod_database_code 1001127
_database_code_amcsd 0012136
8.78 5.17 6.88 90 110. 90 P2_1/a
atom    x    y    z
Cl1  .023 .230 .176
Na1  .311 .784 .299
O1   .103 .029 .350
O2   .349 .338 .084
O3   .051 .431 .252
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SnTaO3
 
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342
Synthese et identification de deux oxydes doubles de tantale et d'etain
Sample: synthetic
_database_code_amcsd 0012245
3.880 3.880 3.880 90 90 90 Pd3m
atom  x  y  z
Sn    0  0  0
Ta   .5 .5 .5
O1    0 .5 .5
O2   .5  0 .5
O3   .5 .5  0
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Microlite
Download hom/microlite.pdf
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342
Synthese et identification de deux oxydes doubles de tantale et d'etain
Sample: synthetic
_database_code_amcsd 0012246
10.37 10.37 10.37 90 90 90 Fd-3m
atom    x    y    z
Ca   .625 .625 .625
Ta   .125 .125 .125
O1     .5   .5   .5
O2    .20    0    0
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Cd2Nb2O7
 
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342
Synthese et identification de deux oxydes doubles de tantale et d'etain
Sample: synthetic
_database_code_amcsd 0012247
10.37 10.37 10.37 90 90 90 Fd-3m
atom    x    y    z
Cd   .625 .625 .625
Nb   .125 .125 .125
O1     .5   .5   .5
O2    .20    0    0
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Cd2Ta2O7
 
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342
Synthese et identification de deux oxydes doubles de tantale et d'etain
Sample: synthetic
_database_code_amcsd 0012248
10.38 10.38 10.38 90 90 90 Fd-3m
atom    x    y    z
Cd   .625 .625 .625
Ta   .125 .125 .125
O1     .5   .5   .5
O2    .20    0    0
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Oxystannomicrolite
 
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342
Synthese et identification de deux oxydes doubles de tantale et d'etain
Sample: synthetic
_database_code_amcsd 0012249
10.48 10.48 10.48 90 90 90 Fd-3m
atom    x    y    z
Sn   .625 .625 .625
Ta   .125 .125 .125
O1     .5   .5   .5
O2    .20    0    0
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Bindheimite
Download hom/bindheimite.pdf
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342
Synthese et identification de deux oxydes doubles de tantale et d'etain
Sample: synthetic
_database_code_amcsd 0012250
10.40 10.40 10.40 90 90 90 Fd-3m
atom    x    y    z
Sb   .125 .125 .125
Pb   .625 .625 .625
O1     .5   .5   .5
O2    .20    0    0
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Cd2 Nb2 O7
 
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342
Synthese et identification de deux oxydes doubles de tantale et d'etain.
_cod_database_code 1001178
_database_code_amcsd 0012251
10.37 10.37 10.37 90 90 90 Fd3m
atom    x    y    z
Nb1  .125 .125 .125
Cd1  .625 .625 .625
O1     .5   .5   .5
O2    .20    0    0
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Cd2 O7 Ta2
 
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342
Synthese et identification de deux oxydes doubles de tantale et d'etain.
_cod_database_code 1001179
_database_code_amcsd 0012252
10.38 10.38 10.38 90 90 90 Fd3m
atom    x    y    z
Ta1  .125 .125 .125
Cd1  .625 .625 .625
O1     .5   .5   .5
O2    .20    0    0
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Sukulaite
 
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342
Synthese et identification de deux oxydes doubles de tantale et d'etain
_cod_database_code 1001775
_database_code_amcsd 0012253
3.880 3.880 3.880 90 90 90 Pm3m
atom  x  y  z
Sn1   0  0  0
Ta1  .5 .5 .5
O1    0 .5 .5
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Uranmicrolite
Download hom/uranmicrolite.pdf
Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 243 (1956) 1534-1536
Synthese et identification d'un oxyde double de tantale et d'uranium.
_cod_database_code 1001777
_database_code_amcsd 0012254
10.37 10.37 10.37 90 90 90 Fd3m
atom    x    y    z
Ta1  .125 .125 .125
U1   .625 .625 .625
O1     .5   .5   .5
O2    .20    0    0
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Nb3 O10 U
 
Chevalier R, Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 267 (1968) 481-483
Structure cristalline de l'oxyde double U Nb3 O10
_cod_database_code 1001174
_database_code_amcsd 0012275
7.38 12.78 15.96 90 90 90 Fddd
atom    x  y     z
U1      0  0     0
Nb1     0  0    .5
Nb2     0  0  .258
O1   .283 .1 -.002
O2      0  0   .38
O3      0  0  .117
O4      0 .2     0
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UTiNb2O10
 
Chevalier R, Gasperin M
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 268 (1969) 1426-1428
Synthese en monocristaux et structure cristalline de l'oxyde UTiNb2O10
_cod_database_code 1001143
_database_code_amcsd 0012277
7.28 12.62 16.02 90 90 90 Fddd
atom    x    y     z
U1      0    0     0
Ti1     0    0    .5
Nb1     0    0  .265
O1   .303 .101 -.001
O2      0    0  .378
O3      0    0  .112
O4      0 .198     0
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H4 N4 S28
 
Fernandez H, Gasperin M, Freymann R
 
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 292 (1981) 1393-1396
Cristallochimie - etude structurale, chimique et par spectrographie
infrarouge du complexe par transfert de charge (S8)3 (S4 (N H)4)
_cod_database_code 1001851
_database_code_amcsd 0012296
8.440 13.034 8.203 90 112.49 90 P2/n
atom      x     y      z  occ
S1    .4577 .8935  .1504 .875
N1    .4577 .8935  .1504 .125
S2    .1193 .7976  .1992 .875
N2    .1193 .7976  .1992 .125
S3   -.0224 .0308  .2203 .875
N3   -.0224 .0308  .2203 .125
S4    .3193 .1271  .1702 .875
N4    .3193 .1271  .1702 .125
S5    .8401 .5793  .0292 .875
N5    .8401 .5793  .0292 .125
S6    .7130 .4430 -.0322 .875
N6    .7130 .4430 -.0322 .125
S7    .8239 .3458  .1757 .875
N7    .8239 .3458  .1757 .125
S8    .6996 .6769  .1156 .875
N8    .6996 .6769  .1156 .125
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Vermiculite
Download hom/vermiculite.pdf
de la Calle C, Pezerat H, Gasperin M
 
Journal de Physique 38 (1977) 128-133
Problemes d'ordre-desordre dans les vermiculites structure du mineral
calcique hydrate a 2 couches
_cod_database_code 1001031
_database_code_amcsd 0012759
5.351 9.262 15.03 90 96.83 90 C2/m
atom    x    y    z  occ
Si1  .394 .167 .183 .691
Al1  .394 .167 .183 .294
Fe1  .394 .167 .183 .015
Mg1     0 .167    0 .674
Al2     0 .167    0 .168
Fe2     0 .167    0 .021
Fe3     0 .167    0 .028
Ti1     0 .167    0 .014
Mg2     0   .5    0 .674
Al3     0   .5    0 .168
Fe4     0   .5    0 .021
Fe5     0   .5    0 .028
Ti2     0   .5    0 .014
O1   .855    0 .064
O2   .353 .167 .077
O3   .138 .231 .222
O4   .444    0 .216
Ca1     0 .333   .5 .115
Ca2     0 .036   .5   .1
O5    .12 .141   .4  .22
O6    .27 .355 .408  .11
O7    .45   .5 .342   .2
O8    .45    0  .49   .2
O9    .27 .228  .41  .15
O10  .125   .5 .391  .22
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Al11 Gd0.46 La0.43 Mg0.635 O18.46
 
Salem Y, Linares C, Jacquier B, Saine M, Gasperin M, Lejus A, Vivien D
 
Journal of Chemical Physics 93 (1990) 7076-7084
The sites of Gd^3+^ in the luminescent matrix La1-xGdxMgAl11O19:
single crystal structure determination and site-selective excitation of Gd^3+^
_cod_database_code 1001462
_database_code_amcsd 0013019
5.565 5.565 21.89 90 90 120 P6_3/mmc
atom     x     y     z  occ
La1    2/3   1/3   .25  .43
Gd1  .6727 .3755   .25 .077
Al1      0     0     0 .917
Mg1      0     0     0 .053
Al2    1/3   2/3 .0273 .917
Mg2    1/3   2/3 .0273 .053
Al3    1/3   2/3 .1901 .917
Mg3    1/3   2/3 .1901 .053
Al4  .8322 .6644 .1085 .917
Mg4  .8322 .6644 .1085 .053
Al5      0     0 .2419 .458
Mg5      0     0 .2419 .026
O1   .1994 .3632   .25  .47
O2   .1532 .3064 .0533
O3   .5053 .0106 .1515  .94
O4       0     0 .1511
O5     2/3   1/3 .0578
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La3 O8 Re
 
Baud G, Besse J, Chevalier R, Gasperin M
 
Journal of Solid State Chemistry 29 (1979) 267-272
Structure cristalline de La3 Re O8
_cod_database_code 1001841
_database_code_amcsd 0013369
17.53499 11.889 12.816 90 90.0 90 C2_1
atom     x      y     z
Re1  .6228  .0014 .0601
Re2  .1261  .0004 .0369
Re3  .6235  .2538 .4117
Re4  .6236  .7495 .4104
La1  .6282  .0036 .6357
La2  .6233  .5020 .6219
La3  .6253  .2654 .8350
La4  .7341  .2383 .1150
La5  .0152  .2358 .1034
La6  .7505  .0079 .3662
La7  .0086  .0094 .3546
La8  .7312  .4986 .3349
La9  .0217  .4978 .3356
La10 .7666  .2380 .6189
La11 .6244  .7338 .8314
La12 .0115  .7610 .1176
O1   .5156  .9804 .0624
O2   .7275   .006 .0539
O3   .6349 -.0207 .2087
O4   .6178 -.0237  .918
O5    .626   .153 .0195
O6   .6164   .838 .0546
O7   .0148  .0021  .029
O8   .2342 -.0044 .0312
O9   .1107  .0328 .1812
O10  .1329 -.0183 .8871
O11   .142   .145     0
O12  .1292  .8566 .0839
O13   .519  .2861 .4151
O14  .7329   .261 .4138
O15  .6207   .237 .5677
O16  .6241  .2735  .263
O17  .6349  .3996 .4585
O18  .6178  .1025  .415
O19   .516  .7894 .4229
O20  .7357    .77 .4252
O21    .63  .7243 .5581
O22  .6199  .7345   .27
O23  .6335     .9 .3902
O24  .6293   .595 .4116
O25  .8003  .1249 .2341
O26  .9400  .1249 .2400
O27  .7974  .8762 .2432
O28  .9500  .8766 .2490
O29  .2960  .8770 .2200
O30  .4564  .8726 .2203
O31  .2910  .1248 .2244
O32  .4533  .1248 .2300
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Rb4Nb6O17*(H2O)3
 
Gasperin M, le Bihan M
 
Journal of Solid State Chemistry 33 (1980) 83-89
Un niobate de rubidium d'un type structural nouveau: Rb4Nb6O17*(H2O)3
_cod_database_code 1001089
_database_code_amcsd 0013385
7.83 39.06 6.57 90 90 90 Pmnb
atom      x     y     z
Nb1  -.0031 .1824 .1039
Nb2  -.0109 .1424 .6599
Nb3     .25 .1167 .0366
Nb4     .25 .0780 .5817
Rb1     .25 .2238 .5500
Rb2     .75 .2230 .5411
Rb3     .75 .0920 .2185
Rb4     .25 .0107 .0754
O1    .0396 .2239 .1783
O2    .0048 .1638 .4065
O3    .4860 .0933 .5976
O4    .0032 .1862 .8031
O5    .0130 .1308 .9917
O6      .25 .1366 .7096
O7      .75 .1398 .7089
O8      .25 .0772 .8834
O9      .75 .1793 .1104
O10     .25 .1708 .1229
O11     .25 .0329 .4972
O12     .25 .0958 .3142
O13   .5508 .0183 .2638
O14     .75 .0564 .7599
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K4 Nb6 O17
 
Gasperin M, le Bihan M
 
Journal of Solid State Chemistry 43 (1982) 346-353
Mecanisme d'hydratation des niobates alcalins lamellaires de formule
A4Nb4O17 (A=K,Rb,Cs)
_cod_database_code 1001842
_database_code_amcsd 0013485
7.83 33.20999 6.46 90 90 90 P2_1nb
atom      x     y     z
Nb1       0 .1741 .2017
Nb2   .0078 .8259 .7941
Nb3  -.0011 .1252 .7558
Nb4   .0147 .8728 .2325
Nb5   .2617 .0954 .1369
Nb6   .2614 .0499 .6802
K1    .2484 .2209 .6511
K2    .7509 .2177 .6453
K3    .7499 .0819 .3339
K4    .7542 .0214 .7948
O1    .0431 .2219 .2783
O2    .4862 .2279 .2786
O3    .0131 .1445 .4976
O4    .5189 .1536 .5162
O5    .0228 .0680 .6711
O6    .5142 .0683 .7100
O7    .0053 .1783 .9048
O8    .5091 .1902 .9157
O9    .0189 .1099 .0918
O10   .4885 .1026 .0729
O11   .2599 .1209 .8112
O12   .7567 .1169 .7814
O13   .2354 .0426 .9830
O14     .75 .1676 .2327
O15    .239 .1561 .2230
O16   .2758  .996 .6252
O17    .278 .0737 .3874
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Nb2 O7 Ti
 
Gasperin M
 
Journal of Solid State Chemistry 53 (1984) 144-147
Affinement de la structure de Ti Nb2 O7 et repartition des cations
_cod_database_code 1001270
_database_code_amcsd 0013526
20.351 3.801 11.882 90 120.19 90 C2/m
atom     x y     z   occ
Nb1      0 0     0 .6667
Ti1      0 0     0 .3333
Nb2  .1856 0 .0060 .6667
Ti2  .1856 0 .0060 .3333
Nb3  .0786 0 .6368 .6667
Ti3  .0786 0 .6368 .3333
Nb4  .8889 0 .6307 .6667
Ti4  .8889 0 .6307 .3333
Nb5  .2931 0 .3976 .6667
Ti5  .2931 0 .3976 .3333
O1   .1738 0 .5859
O2   .3730 0 .5800
O3   .5967 0 .6210
O4   .7909 0 .6188
O5   .2508 0 .1973
O6   .7094 0 .0022
O7   .8996 0 .9863
O8   .0250 0 .4188
O9   .8753 0 .1885
O10     .5 0     0
O11  .0495 0 .1979
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Al11 La Mn O19
 
Gasperin M, Saine M, Kahn A, LaVille F, Lejus A
 
Journal of Solid State Chemistry 54 (1984) 61-69
Influence of M^2+^ ions substitution on the structure of lanthanum
hexaaluminates with magnetoplumbite structure
_cod_database_code 1001258
_database_code_amcsd 0013530
5.574 5.574 22.008 90 90 120 P6_3/mmc
atom     x     y     z occ
La1  .6676 .3552   .25 .14
La2  .7373 .4746   .25 .05
Al1      0     0     0
Al2    1/3   2/3 .0275  .5
Mn1    1/3   2/3 .0275  .5
Al3    1/3   2/3 .1899
Al4      0     0 .2399  .5
Al5  .8328 .6656 .1083
O1   .1811 .3622   .25
O2   .1539 .3078 .0526
O3   .5056 .0112 .1501
O4       0     0 .1492
O5     2/3   1/3 .0568
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Al11.95 La0.9 O18.9
 
Gasperin M, Saine M, LaVille F, Lejus A, Kahn A
 
Journal of Solid State Chemistry 54 (1984) 61-69
Influence of M^2+^ ions substitution on the structure of lanthanum
hexaaluminates with magnetoplumbite structure
_cod_database_code 1001259
_database_code_amcsd 0013531
5.577 5.577 22.003 90 90 120 P6_3/mmc
atom     x     y     z occ
La1   .677  .323   .25  .3
Al1      0     0     0
Al2    1/3   2/3 .0265
Al3    1/3   2/3 .1894
Al4  .8325  .665 .1079
Al5      0     0 .2382 .44
O1   .1853 .3706   .25
O2    .153  .306 .0536
O3   .5034 .0068 .1505
O4       0     0 .1500
O5     2/3   1/3 .0571
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Al11.5 La0.85 O18.5
 
Gasperin M, Saine M, LaVille F, Lejus A, Kahn A
 
Journal of Solid State Chemistry 54 (1984) 61-69
Influence of M^2+^ ions substitution on the structure of lanthanum
hexaaluminates with magnetoplumbite structure
_cod_database_code 1001260
_database_code_amcsd 0013532
5.55 5.55 22.021 90 90 120 P6_3/mmc
atom     x     y     z occ
La1    2/3   1/3   .25 .56
La2  .7208 .4416   .25 .09
Al1      0     0     0
Al2    1/3   2/3 .0270
Al3    1/3   2/3 .1899
Al4  .8308 .6616 .1077 .95
Al5      0     0 .2388 .42
O1   .2017 .3631   .25 .42
O2   .1621 .3115 .0519  .5
O3   .5047 .0094 .1502
O4       0     0 .1481
O5     2/3   1/3 .0552
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Al11.55 La0.85 O18.6
 
Gasperin M, Saine M, LaVille F, Lejus A, Kahn A
 
Journal of Solid State Chemistry 54 (1984) 61-69
Influence of M^2+^ ions substitution on the structure of lanthanum
hexaaluminates with magnetoplumbite structure
_cod_database_code 1001261
_database_code_amcsd 0013533
5.55 5.55 22.031 90 90 120 P6_3/mmc
atom     x     y     z  occ
La1    2/3   1/3   .25  .55
La2  .7170  .434   .25   .1
Al1      0     0     0
Al2    1/3   2/3 .0269
Al3    1/3   2/3 .1899
Al4  .8324 .6648 .1076 .952
Al5      0     0 .2386  .41
O1   .2009 .3623   .25 .437
O2   .1634 .3121 .0518   .5
O3   .5034 .0068 .1501
O4       0     0 .1481
O5     2/3   1/3 .0554
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Na2UO4
 
Gasperin M
 
Journal of Solid State Chemistry 60 (1985) 316-319
Synthese en monocristaux et structure du monouranate de sodium beta-Na2UO4
_cod_database_code 1001339
_database_code_amcsd 0013565
5.802 5.969 11.699 90 90 90 Fmmm
atom     x     y     z occ
U1       0     0     0
Na1      0 .0496 .3377  .5
O1   .1065 .0339 .1532 .25
O2   .2049 .2916 .0470 .25
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Al11 La Ni O19
 
Laville F, Perrin M, Lejus A, Gasperin M, Moncorge R, Vivien D
 
Journal of Solid State Chemistry 65 (1986) 301-308
Synthesis, crystal growth, structural determination, and optical
absorption spectroscopy of the magnetoplumbite type compound LaNiAl11O19
_cod_database_code 1001680
_database_code_amcsd 0013587
5.57 5.57 22.00999 90 90 120 P6_3/mmc
atom     x     y     z occ
La1    2/3   1/3   .25 .76
La2  .7199 .4398   .25 .08
Al1      0     0     0 .67
Al2    1/3   2/3 .0274 .67
Al3    1/3   2/3 .1897
Al4  .8318 .6637 .1078
Al5      0     0 .2391  .5
O1   .1815 .3631   .25
O2    .154 .3081 .0523
O3   .5043 .0086 .1502
O4       0     0 .1488
O5     2/3   1/3 .0562
Ni1      0     0     0 .33
Ni2    1/3   2/3 .0274 .33
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Na O11 V6
 
De Roy M, Besse J, Chevalier R, Gasperin M
 
Journal of Solid State Chemistry 67 (1987) 185-189
Synthese et structure cristalline de Na V6 O11
_cod_database_code 1001687
_database_code_amcsd 0013596
5.699 5.699 13.07 90 90 120 P-62c
atom     x     y     z occ
V1   .5050 .0135     0  .5
V2     1/3   2/3   .25
V3       0     0 .1477
Na1    2/3   1/3   .25
O1   .3408  .173 .0804
O2    .147 .3051   .25
O3     1/3   2/3 .0902
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TlNb2U2O11.5
 
Gasperin M
 
Journal of Solid State Chemistry 67 (1987) 219-224
Synthese et structure de trois niobouranates d'ions monovalents:
TlNb2U2O11.5, KNbUO6, et RbNbUO6
_cod_database_code 1001355
_database_code_amcsd 0013597
7.713 10.329 13.947 90 90 90 Pmnb
atom     x     y     z occ
U1     .25 .2046 .2105
U2     .25 .8353 .7612
Nb1  .4992 .4609 .1090
Tl1  .0200 .8685 .0418  .5
O1     .25 .1089 .1045
O2     .25 .4047 .1178
O3     .25 .4343 .6356
O4   .5306 .2903 .1715
O5     .25 .5020 .8590
O6     .25 .2321 .8386
O7     .25 .8013 .1855
O8   .0349 .5791 .2195
O9   .0505 .6133 .0197 .75
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KNbUO6
 
Gasperin M
 
Journal of Solid State Chemistry 67 (1987) 219-224
Synthese et structure de trois niobouranates d'ions monovalents:
TlNb2U2O11.5, KNbUO6, et RbNbUO6
_cod_database_code 1001356
_database_code_amcsd 0013598
7.579 11.321 15.259 90 90 90 Pcab
atom     x     y     z occ
U1   .1248 .0228 .2593
Nb1  .3857 .7499 .1453
K1   .3651 .2494 .0912 .64
K2   .3625 .0742 .0200 .36
O1   .6287 .0564 .1422
O2   .1240 .1047 .1614
O3   .1228 .7068 .1630
O4   .3370 .9032 .2020
O5   .9148 .8977 .2074
O6   .3645 .7421 .0340
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Al11 Fe La0.96 O19
 
Tronc E, Laville F, Gasperin M, Lejus A, Vivien D
 
Journal of Solid State Chemistry 81 (1989) 192-202
Structural and Spectroscopic Investigations of LaFeAl11O19 Compounds
_cod_database_code 1001416
_database_code_amcsd 0013661
5.586 5.586 22.017 90 90 120 P6_3/mmc
atom     x     y     z  occ
La1    2/3   1/3   .25  .83
La2  .7241 .4481   .25 .045
Al1      0     0     0  .95
Fe1      0     0     0  .05
Al2    1/3   2/3 .0275  .75
Fe2    1/3   2/3 .0275  .25
Al3    1/3   2/3 .1898  .92
Fe3    1/3   2/3 .1898  .08
Al4  .8322 .6643 .1082  .95
Fe4  .8322 .6643 .1082  .05
Al5      0     0 .2404   .5
O1   .1819 .3638   .25
O2   .1527 .3053 .0529
O3   .5044 .0087 .1504
O4       0     0 .1497
O5     2/3   1/3 .0576
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Co F6 H6 Np O3
 
Abazli H, Cousson A, Jove J, Pages M, Gasperin M
 
Journal of the Less-Common Metals 96 (1984) 23-33
Les composes Co Np F6 (H2 O)3 et Co U F6 (H2 O)3. Etude
structurale, mesur des susceptibilites magnetiques et resonance
Moessbauer (237 Np)
_cod_database_code 1001329
_database_code_amcsd 0014149
12.119 6.908 7.928 90 92.84 90 C2
atom     x     y     z
Np1      0     0     0
Np2      0 .0373    .5
Co1  .2497 .2691 .2476
F1   .0611 .1623 .7517
F2   .1677 .1641 .4457
F3   .1253 .2327 .0833
F4   .3868 .3071 .4109
F5   .3313 .3715 .0505
F6   .5745 .3930  .262
O1   .1843 .4857 .8098
O2   .3184 .0289 .6844
O3       0 .3962    .5
O4       0 .6229     0
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O8 Pb Re2
 
Picard J, Baud G, Besse J, Chevalier R, Gasperin M
 
Journal of the Less-Common Metals 96 (1984) 171-176
Structure cristalline du perrhenate de plomb Pb (Re O4)2
_cod_database_code 1001328
_database_code_amcsd 0014150
11.276 11.276 4.593 90 90 120 P31m
atom     x     y      z
Re1  .3805     0 -.0171
Re2  .7128     0  .4828
Pb1      0     0      0
Pb2    1/3   2/3  .4708
O1   .2268     0  .1188
O2   .5219 .1400  .0893
O3   .7274     0  .1215
O4   .7147 .1554  .6109
O5   .8504     0  .6065
O6   .3947     0  .6066
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CoNp2F10(H2O)8
 
Cousson A, Abazli H, Jove J, Gasperin M
 
Journal of the Less-Common Metals 109 (1985) 155-168
Synthese et etude structurale des composes CoNp2F10(H2O)8
et CuNp2F10(H2O)6
_cod_database_code 1001340
_database_code_amcsd 0014154
8.803 7.040 11.066 90 94.12 90 P2_1/a
atom      x      y      z
Np1  .17715 .15392 .04555
Co1       0      0     .5
F1    .4388  .2036  .0684
F2    .2147  .4709  .1013
F3    .0008  .9368  .1105
F4    .2922  .8596  .1117
F5    .2120  .1649  .2453
Wat1  .0354  .5657  .2858
Wat2  .3658  .4738  .3382
Wat3  .1660  .8827  .3934
Wat4  .0742  .2754  .4738
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CuNp2F10(H2O)6
 
Cousson A, Abazli H, Jove J, Gasperin M
 
Journal of the Less-Common Metals 109 (1985) 155-168
Synthese et etude structurale des composes CoNp2F10(H2O)8
et CuNp2F10(H2O)6
_cod_database_code 1001341
_database_code_amcsd 0014155
19.043 7.128 8.593 90 96.63 90 P2/c
atom      x      y      z
Np1  .21968 .09221 .31504
Cu1       0     .5      0
F1    .8101  .3233 .01400
F2    .2013  .0448 .05167
F3    .1854  .3894 .18798
F4    .8962  .0885 .21719
F5    .3070  .2754 .22427
Wat1      0      0      0
Wat2  .4218  .1628 .05022
Wat3  .5654  .1804 .10594
Wat4      0  .3451    .25
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Na O3.5 U
 
Gasperin M
 
Journal of the Less-Common Metals 119 (1986) 83-90
Na2U2O7: Synthese et structure d'un monocristal
_cod_database_code 1001351
_database_code_amcsd 0014157
3.911 3.911 17.857 90 90 120 R-3m
atom      x      y     z   occ
U1   -.0163 -.0600 .0054 .0833
Na1       0      0    .5
O1        0      0 .1048   .75
O2    .0455 -.0455 .3514  .332
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Na O3.5 U
 
Gasperin M
 
Journal of the Less-Common Metals 119 (1986) 83-90
Na2U2O7: Synthese et structure d'un monocristal
_cod_database_code 1001364
_database_code_amcsd 0014158
3.911 3.911 17.857 90 90 120 R-3m
atom      x      y     z   occ
U1   -.0163 -.0600 .0054 .0833
Na1       0      0    .5
O1        0      0 .1048   .75
O2    .0455 -.0455 .3514  .332
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K9 O22.5 U6
 
Saine M, Gasperin M, Jove J, Cousson A
 
Journal of the Less-Common Metals 132 (1987) 141-148
Relation entre la structure cristalline d'un uranate de potassium K9U6O22.5,
et les spectres Mossbauer (Np237) des phases apparentees de neptunium
_cod_database_code 1001690
_database_code_amcsd 0014162
8.722 8.722 8.722 90 90 90 Im3m
atom     x   y   z  occ
U1       0  .5   0
K1     .25 .25 .25
K2       0   0   0   .5
O1   .3064   0   0
O2     .25   0  .5 .875
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K O3.5 U
 
Jove J, Cousson A, Gasperin M
 
Journal of the Less-Common Metals 139 (1988) 345-350
Synthesis and crystal structure of K2 U2 O7 and Mossbauer
(237 Np) studies of K2 Np2 O7 and Ca Np O4
_cod_database_code 1001381
_database_code_amcsd 0014163
3.96 3.96 19.82 90 90 120 R-3m
atom     x     y     z  occ
U1   .0443     0     0 .167
K1       0     0    .5
O1       0     0 .0936
O2   .0412 -.064 .3429 .125
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Ca3.11 Na8 O17.52 U3.7
 
Gasperin M, Cousson A, He L, Jove J
 
Journal of the Less-Common Metals 152 (1989) 339-348
Structure d'un Oxyde d'Uranium a Valence Mixte et Etude par
Spectroscopie Mossbauer (237 Np) d'un Oxyde Isotype de Neptunium
_cod_database_code 1001410
_database_code_amcsd 0014165
8.258 8.271 8.250 90 91.78 90 P2_1/n
atom     x     y     z  occ
U1      .5     0     0
U2      .5    .5     0   .4
U3       0     0     0 .222
Ca1      0     0     0 .778
U4       0    .5     0 .222
Ca2      0    .5     0 .778
Na1  .2284 .2402 .2652
Na2  .2697 .7446 .7206
O1   .2685 .0543 .0485  .73
O2   .4476 .0546 .7612  .73
O3   .0684 .2576 .5386  .73
O4   .4705 .2493 .4335  .73
O5   .9461 .0521 .2598  .73
O6   .7661 .0560 .5540  .73
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Dy5 O12 Re2
 
Baud G, Besse J, Chevalier R, Gasperin M
 
Materials Chemistry and Physics 8 (1983) 93-99
Synthese et etude structurale de l'oxyde double Dy5 Re2 O12
_cod_database_code 1001257
_database_code_amcsd 0014202
12.425 7.511 5.653 90 90 107.8 P2/c
atom     x      y      z occ
Re1  .2451 -.0064  .0343  .5
Re2  .2652  .5135  .0333  .5
Dy1  .2443  .4975    .25  .5
Dy2   .267  .0088    .25  .5
Dy3  .5617  .1736    .25
Dy4  .9443  .3529    .25
Dy5  .5572  .6427    .25
Dy6  .9360  .8380    .25
O1   .4107  .0751 -.0187
O2   .0973  .4021 -.0464
O3   .4036  .5710  .0097
O4   .0864  .8965  .0105
O5   .2426  .1891    .25
O6   .2508  .7882    .25
O7   .7555  .8197    .25
O8   .7601    .16    .25
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Hendricksite
Download hom/hendricksite.pdf
Robert J L, Gasperin M
 
Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 1-14
Crystal structure refinement of hendricksite, a Zn- and Mn-rich trioctahedral
potassium mica: a contribution to the crystal chemistry of zinc-bearing minerals
Locality: Franklin Furnace, New Jersey, USA
Note: polytype 1M
_database_code_amcsd 0015700
5.340 9.254 10.235 90 100.07 90 C2/m
atom     x      y       z     occ Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
KA       0      0       0     .89  2.4 .02134 .00697 .00600       0 .00302       0
NaA      0      0       0     .10   .3 .02134 .00697 .00600       0 .00302       0
BaA      0      0       0     .01   .3 .02134 .00697 .00600       0 .00302       0
Mg1      0     .5      .5    .524   .3 .00063 .00085 .00150       0 .00070       0
Zn1      0     .5      .5     .18   .3 .00063 .00085 .00150       0 .00070       0
Mn1      0     .5      .5   .1334   .3 .00063 .00085 .00150       0 .00070       0
Fe1      0     .5      .5    .084   .3 .00063 .00085 .00150       0 .00070       0
Ti1      0     .5      .5    .024   .3 .00063 .00085 .00150       0 .00070       0
Al1      0     .5      .5   .0192   .3 .00063 .00085 .00150       0 .00070       0
Cr1      0     .5      .5    .002   .3 .00063 .00085 .00150       0 .00070       0
Mg2      0  .8317      .5    .524   .3 .00072 .00066 .00160       0 .00037       0
Zn2      0  .8317      .5     .18   .3 .00072 .00066 .00160       0 .00037       0
Mn2      0  .8317      .5   .1334   .3 .00072 .00066 .00160       0 .00037       0
Fe2      0  .8317      .5    .084   .3 .00072 .00066 .00160       0 .00037       0
Ti2      0  .8317      .5    .024   .3 .00072 .00066 .00160       0 .00037       0
Al2      0  .8317      .5   .0192   .3 .00072 .00066 .00160       0 .00037       0
Cr2      0  .8317      .5    .002   .3 .00072 .00066 .00160       0 .00037       0
Si   .5750  .1668   .2252     .73   .6 .00416 .00170 .00189 -.00049 .00108  .00000
Al   .5750  .1668   .2252     .27   .6 .00416 .00170 .00189 -.00049 .00108  .00000
O1   .8242  .2331   .1674          1.6 .01338 .00650 .00290 -.00184 .00311 -.00067
O2   .5211      0   .1671          1.7 .01980 .00471 .00300       0 .00108       0
O3   .6313  .1663   .3898           .7 .00443 .00206 .00189 -.00104 .00000 -.00018
OH   .1297      0   .3949           .7 .00244 .00198 .00251       0 .00000       0
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Total number of retrieved datasets: 82
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