American Mineralogist Crystal Structure Database

19 matching records for this search.

B Cl4 K O12 S4
 
Mairesse G, Drache M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=34&spage=1771
Acta Crystallographica B34 (1978) 1771-1776
The crystal structure of potassium tetrachlorosulfatoborate,  K (B (SO3 Cl)4)
_cod_database_code 1004039
_database_code_amcsd 0009643
10.513 10.838 10.965 99.21 135.48 97.15 P1
atom      x      y      z
K1    .7991 -.0710  .3957
B1        0      0      0
S1   -.1224  .2084 -.0633
Cl1  -.2187  .2518 -.2787
O1   -.0187  .1172 -.0554
O2    .0166  .3273  .0938
O3   -.2787  .1397 -.1059
S2    .3413  .0593  .1291
Cl2   .2699  .1140 -.0738
O4    .1473 -.0360  .0288
O5    .4592 -.0168  .1738
O6    .4092  .1757  .2676
S3   -.2800 -.2009 -.3323
Cl3  -.1479 -.3338 -.2734
O7   -.1797 -.1158 -.1415
O8   -.4732 -.2722 -.4419
O9   -.2385 -.1247 -.3997
S4    .0602 -.0563  .2622
Cl4   .2852  .0605  .5212
O10   .0480  .0360  .1657
O11   .0991 -.1676  .2253
O12  -.0955 -.0795  .2319
K2    .1319  .5950  .2286
B2    .2617  .5244  .7611
Cl5  -.2083  .2721  .2318
O13   .1258  .4067  .5893
O14  -.0490  .1970  .5278
O15  -.1557  .3838  .5167
S5   -.0689  .3155  .4900
S6    .5443  .4649  .8322
Cl6   .4176  .4098  .5739
O16   .4455  .5603  .8268
O17   .7384  .5401  .9532
O18   .4954  .3479  .8535
S7    .1829  .7248  .6304
Cl7   .4479  .8578  .8222
O19   .1980  .6401  .7368
O20   .0622  .7967  .5931
O21   .1482  .6499  .4874
S8    .3786  .5804  .0805
Cl8   .4871  .4634  .2231
O22   .2746  .4882  .8923
O23   .5300  .6918  .1563
O24   .2473  .6043  .0740
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B Cl4 Li O12 S4
 
Mairesse G, Drache M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=36&spage=2767
Acta Crystallographica B36 (1980) 2767-2768
Lithium Tetrakis(chlorosulfato)borate
_cod_database_code 1004054
_database_code_amcsd 0009725
8.832 8.388 20.765 90 91.89 90 P2_1/c
atom      x      y       z
B1   .64878 .74555  .08898
S1   .85183 .87610  .17427
Cl1  .94171 .75120  .24621
O1   .73476 .75437  .15015
O2   .96663 .89714  .12844
O3   .78199 .01141  .19920
S2   .80970 .47882  .06141
Cl2  .75328 .32413  .12787
O4   .67422 .59201  .05737
O5   .80900 .39639  .00241
O6   .94316 .55537  .08479
S3   .39567 .67860  .15074
Cl3  .42739 .82245  .22517
O7   .48619 .76098  .09887
O8   .24158 .68907   .1322
O9   .45900 .53008  .16749
S4   .77167 .89470 -.01394
Cl4  .63542 .79789 -.08826
O10  .68104 .88234  .04670
O11  .78481 .05803 -.02844
O12  .90314 .79866 -.01002
Li1  .08958 .74882  .06198
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Bi11.095 O20 P0.853
 
Wignacourt J, Drache M, Conflant P, Boivin J
 
Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 1939-1949
Nouvelles phases du systeme Bi2O3-BiPO4 . II.Structure et
proprietes electriques d'une solution solide de type sillenite
_cod_database_code 1004094
_database_code_amcsd 0012754
10.169 10.169 10.169 90 90 90 I23
atom     x     y     z   occ
Bi1  .8233 .6793 .9797 .8227
Bi2  .8233 .6793 .9797 .1019
P1       0     0     0  .853
O1    .869  .757  .510
O2    .799  .799  .799
O3    .093  .093  .093
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Br6 H3 In K3 O1.5
 
Lornaux-Rubbens A, Wignacourt J, Drache M, Wallart F
 
Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2041-2055
Investigations structurales des composes K3-x(InX6-x(H2O)x,nH2O).
I. Etude cristallographique (X=Br); comparaison
des distances indium-ligand (X=Cl,Br)
_cod_database_code 1004095
_database_code_amcsd 0012755
16.563 16.563 18.563 90 90 90 I4mm
atom     x     y      z  occ
In1  .2440 .2440  .0058
Br1  .3582 .1313  .0069
Br2  .1483 .1483  .0891
Br3  .3075 .3075  .1210
Br4  .3369 .3369 -.0778
Br5  .1820 .1820  .8880
In2      0    .5   .257
Br6      0    .5  .1207
Br7      0    .5  .3933
Br8  .1154 .6163  .2572
In3      0     0  .2776
Br9      0     0  .4096
Br10     0 .1606  .2620
K1   .2087 .2087  .2576
K2       0 .2908  .1269
K3       0 .2968  .3964
K4      .5 .2139  .1277
K5      .5 .2181  .3809
K6      .5    .5  .1353   .5
K7      .5    .5  .3730   .5
Br11    .5 .3662  .2496  .25
O1       0     0   .152
O2      .5  .328   .034
O3      .5  .313   .254  .75
O4      .5  .368   .457 .625
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Br5 H2 In K2 O
 
Lornaux-Rubbens A, Wignacourt J, Drache M, Wallart F
 
Journal de Chimie Physique et de Physico-Chimie Biologique 88 (1991) 2041-2055
Investigations structurales des composes K3-x(InX6-x(H2O)x,nH2O).
I. Etude cristallographique (X=Br); comparaison
des distances indium-ligand (X=Cl,Br)
_cod_database_code 1004096
_database_code_amcsd 0012756
14.509 10.369 7.590 90 90 90 Pnma
atom      x      y     z
In1   .1136    .25 .8087
Br1   .2153    .25 .0935
Br2   .2593    .25 .6050
Br3   .0014    .25 .5337
Br4   .1033 -.0035 .8127
O1   -.0104    .25 .9881
K1    .3523  .0010 .8626
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Bi3 K2 O13 P3
 
Debreuille-Gresse M, Drache M, Abraham F
 
Journal of Solid State Chemistry 62 (1986) 351-359
The crystal structure, phase transition, and dielectric properties of
K2 Bi3 (P O4)3 O, a new oxyphosphate
_cod_database_code 1004110
_database_code_amcsd 0013579
13.139 10.413 9.239 90 90 90 Pnma
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .0834 .0524 .1933      .0262  .0186  .0214 -.0013 -.0084  .0018
Bi2  .0256   .25 .5143      .0112  .0203  .0173      0  .0004      0
K1   .7673   .75 .2036
K2   .7997   .25 .1549
P1   .3429 .0274 .0569
P2   .0096 .7313 .0804  .5
O1    .346 -.120  .069
O2    .352  .067 -.102
O3    .244  .081  .120
O4    .431  .086  .139
O5    .602   .25  .197
O6    .031  .832 -.039  .5
O7   -.075  .631  .038  .5
O8    .112  .656  .101  .5
O9   -.022  .800  .219  .5
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Bi3 K2 O13 P3
 
Debreuille-Gresse M, Drache M, Abraham F
 
Journal of Solid State Chemistry 62 (1986) 351-359
The crystal structure, phase transition, and dielectric properties of
K2 Bi3 (P O4)3 O, a new oxyphosphate
_cod_database_code 1004111
_database_code_amcsd 0013580
13.302 10.506 9.240 90 90 90 Pnma
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .0823 .0595 .1927      .0370  .0348  .0349  .0017 -.0060 -.0026
Bi2  .0230   .25 .5209      .0278  .0323  .0354      0  .0006      0
K1   .7608   .75  .201
K2   .7961   .25 .1547
P1   .3445 .0242 .0627
P2   .0109 .7422 .0733  .5
O1    .353 -.120  .077
O2    .357  .063 -.095
O3    .248  .073  .129
O4    .429  .092  .143
O5    .598   .25  .205
O6    .042  .855 -.013  .5
O7   -.080  .665  .016  .5
O8    .103  .649  .081  .5
O9   -.021  .792  .222  .5
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Bi0.65 Gd0.35 O1.5
 
Drache M, Conflant P, Obbade S, Wignacourt J, Watanabe A
 
Journal of Solid State Chemistry 129 (1997) 98-104
Stability, thermal behaviour, and crystal structure of ion ordered
Bi1-xLnxO1.5 phases (Ln = Sm - Dy)
_cod_database_code 1004122
_database_code_amcsd 0013918
11.0488 11.0488 11.0488 90 90 90 I2_13
atom      x     y     z  occ
Bi1   .2702 .2702 .2702
Bi2  -.0163     0   .25
Bi3   .4979     0   .25 .066
Gd1   .4979     0   .25 .934
O1     .373  .079  .388
O2     .127  .349  .139
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Bi O8 P Pb4
 
Giraud S, Wignacourt J, Drache M, Nowogrocki G, Steinfink H
 
Journal of Solid State Chemistry 142 (1999) 80-88
The stereochemical effect of 6s2 lone-pair electrons: the crystal
structure of a new lead bismuth oxyphosphate Pb4 Bi O4 P O4
_cod_database_code 1004143
_database_code_amcsd 0013955
6.215 7.440 10.498 100.19 103.73 90.05 P-1
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1   .2386  .0351 .70334  .0204  .0176  .0162 -.0015  .0056  .0015
Pb2   .2321  .5641 .70344  .0203  .0199  .0164  .0046  .0047  .0045
Pb3  .73302 -.3815 .96585  .0142  .0133  .0229  .0007  .0082  .0027
Pb4   .7347  .1154  .9644  .0147  .0176  .0324  .0046  .0109  .0107
Bi1   .3070  .2268  .4099  .0163  .0168  .0163  .0018  .0037  .0037
P1     .768  .2945  .6821   .019   .013   .022  -.001   .006   .004
O1     .650   .396   .078
O2     .645  -.106   .085
O3     .034  -.185   .743
O4     .001   .306   .777
O5     .484   .188   .254
O6     .263   .563   .400
O7     .735   .111   .590
O8     .588   .308   .768
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Bi0.775 La0.225 O1.5
 
Drache M, Obbade S, Wignacourt J, Conflant P
 
Journal of Solid State Chemistry 142 (1999) 349-359
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
rhombohedral Bi-Sr-O type
_cod_database_code 1004135
_database_code_amcsd 0013959
4.0242 4.0242 27.59999 90 90 120 R-3m
atom x y     z  occ
Bi1  0 0     0 .325
La1  0 0     0 .675
Bi2  0 0 .2243
O1   0 0  .300
O2   0 0  .092  .82
O3   0 0  .441  .43
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Bi0.775 O1.5 Pr0.225
 
Drache M, Obbade S, Wignacourt J, Conflant P
 
Journal of Solid State Chemistry 142 (1999) 349-359
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
rhombohedral Bi-Sr-O type
_cod_database_code 1004136
_database_code_amcsd 0013960
3.9975 3.9975 27.50899 90 90 120 R-3m
atom x y     z  occ
Bi1  0 0     0 .325
Pr1  0 0     0 .675
Bi2  0 0 .2244
O1   0 0  .302
O2   0 0  .095  .81
O3   0 0  .445  .44
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Bi0.775 Nd0.225 O1.5
 
Drache M, Obbade S, Wignacourt J, Conflant P
 
Journal of Solid State Chemistry 142 (1999) 349-359
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
rhombohedral Bi-Sr-O type
_cod_database_code 1004137
_database_code_amcsd 0013961
3.9915 3.9915 27.463 90 90 120 R-3m
atom x y     z  occ
Bi1  0 0     0 .325
Nd1  0 0     0 .675
Bi2  0 0 .2247
O1   0 0  .303
O2   0 0  .097  .77
O3   0 0  .445  .48
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Bi0.775 O1.5 Sm0.225
 
Drache M, Obbade S, Wignacourt J, Conflant P
 
Journal of Solid State Chemistry 142 (1999) 349-359
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
rhombohedral Bi-Sr-O type
_cod_database_code 1004138
_database_code_amcsd 0013962
3.9783 3.9783 27.39099 90 90 120 R-3m
atom x y     z  occ
Bi1  0 0     0 .325
Sm1  0 0     0 .675
Bi2  0 0 .2248
O1   0 0  .305
O2   0 0  .093  .70
O3   0 0  .445  .55
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Bi0.775 Eu0.225 O1.5
 
Drache M, Obbade S, Wignacourt J, Conflant P
 
Journal of Solid State Chemistry 142 (1999) 349-359
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
rhombohedral Bi-Sr-O type
_cod_database_code 1004139
_database_code_amcsd 0013963
3.9736 3.9736 27.353 90 90 120 R-3m
atom x y     z  occ
Bi1  0 0     0 .325
Eu1  0 0     0 .675
Bi2  0 0 .2253
O1   0 0  .300
O2   0 0  .090  .81
O3   0 0  .450  .44
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Bi0.775 Gd0.225 O1.5
 
Drache M, Obbade S, Wignacourt J, Conflant P
 
Journal of Solid State Chemistry 142 (1999) 349-359
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
rhombohedral Bi-Sr-O type
_cod_database_code 1004140
_database_code_amcsd 0013964
3.9724 3.9724 27.33899 90 90 120 R-3m
atom x y     z  occ
Bi1  0 0     0 .325
Gd1  0 0     0 .675
Bi2  0 0 .2252
O1   0 0  .299
O2   0 0  .091  .78
O3   0 0  .446  .47
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Bi0.775 O1.5 Tb0.225
 
Drache M, Obbade S, Wignacourt J, Conflant P
 
Journal of Solid State Chemistry 142 (1999) 349-359
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
rhombohedral Bi-Sr-O type
_cod_database_code 1004141
_database_code_amcsd 0013965
3.9653 3.9653 27.31699 90 90 120 R-3m
atom x y     z  occ
Bi1  0 0     0 .325
Tb1  0 0     0 .675
Bi2  0 0 .2252
O1   0 0  .303
O2   0 0  .088  .78
O3   0 0  .447  .47
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Bi0.775 Dy0.225 O1.5
 
Drache M, Obbade S, Wignacourt J, Conflant P
 
Journal of Solid State Chemistry 142 (1999) 349-359
Structural and conductivity properties of Bi(0.775) Ln(0.225) O1.5
oxide conductors (Ln = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy) with
rhombohedral Bi-Sr-O type
_cod_database_code 1004142
_database_code_amcsd 0013966
3.9649 3.9649 27.29599 90 90 120 R-3m
atom x y     z  occ
Bi1  0 0     0 .325
Dy1  0 0     0 .675
Bi2  0 0 .2252
O1   0 0  .300
O2   0 0  .091  .72
O3   0 0  .452  .53
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Bi Na3 O8 P2
 
Mairesse G, Drache M, Nowogrocki G, Abraham F
 
Phase Transition 27 (1990) 91-105
Order-disorder transition in Na3Bi(PO4)2
_cod_database_code 1004091
_database_code_amcsd 0014941
19.86 5.353 13.96 90 110.64 90 P2_1/c
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .61841 .20700 .04345  .0078  .0095  .0072 -.0008  .0024 -.0008
Bi2  .12003 .19194 .07593  .0070  .0092  .0079 -.0008  .0018  .0002
P1    .7082  .7775  .7126  .0054  .0061  .0073  .0000  .0011  .0001
P2    .0400  .7705  .6222  .0046  .0058  .0088 -.0009  .0022 -.0009
P3    .4617  .2352  .5826  .0066  .0055  .0076 -.0010  .0017 -.0001
P4    .2086  .7733  .4965  .0044  .0066  .0085 -.0001  .0014  .0006
Na1   .8010  .2073  .2464   .012   .016   .017   .001   .005   .001
Na2   .5354  .7546  .1916   .013   .019   .013  -.002   .006  -.001
Na3   .8631  .7452  .1691   .013   .019   .014   .003   .008   .003
Na4   .9642  .2455  .1551   .012   .019   .015  -.004   .004   .000
Na5   .3023  .2531  .0524   .011   .018   .017   .004   .003  -.001
Na6   .3610  .7488  .1942   .014   .020   .010  -.002   .000  -.004
O1    .6623  .6744  .7693   .011   .024   .018  -.004   .005   .003
O2    .6955  .0595  .6909   .013   .008   .016   .001  -.003   .001
O3    .6944  .6337  .6118   .015   .015   .015   .000   .001  -.005
O4    .7897  .7340  .7746   .005   .015   .014   .002   .000  -.002
O5    .0866  .5464  .6843   .014   .006   .013   .002   .002   .002
O6    .0807  .0118  .6694   .013   .006   .014   .000  -.003   .000
O7    .0325  .7401  .5104   .018   .012   .014   .000   .004   .001
O8   -.0315  .7658  .6396   .007   .021   .022   .002   .007  -.001
O9    .5336  .2339  .6714   .008   .019   .018   .001  -.003  -.003
O10   .4175  .4649  .5991   .013   .006   .010   .003   .004   .002
O11   .4191 -.0004  .5894   .015   .007   .020  -.002   .009  -.002
O12   .4688  .2576  .4781   .017   .012   .018  -.001   .007   .003
O13   .1987  .6366  .5884   .019   .016   .014  -.004   .005   .005
O14   .2906  .7521  .5164   .006   .023   .015   .001   .005  -.004
O15   .1912  .0530  .4973   .015   .007   .022   .002   .006   .003
O16   .1625  .6558  .3965   .007   .020   .013  -.003   .001  -.007
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Bi Na3 O8 P2
 
Mairesse G, Drache M, Nowogrocki G, Abraham F
 
Phase Transition 27 (1990) 91-105
Order-disorder transition in Na3Bi(PO4)2
_cod_database_code 1004092
_database_code_amcsd 0014942
18.71 7.18 5.429 90 90. 90 Pnam
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  .11815 .03270    .25      .0412  .0272  .0687  .0018      0      0
P1    .2913  .2866    .25       .022   .030   .040  -.002      0      0
P2    .4621  .7070    .25       .025   .028   .030  -.001      0      0
Na1   .4609  .1606    .25       .062   .053   .081  -.006      0      0
Na2   .1365  .5266    .25       .061   .044   .107   .019      0      0
Na3   .2993  .8049    .25       .044   .084   .078  -.001      0      0
O1    .4206  .7709  .0230       .061   .056   .033   .014  -.011   .001
O2    .4673  .4953    .25       .103   .042   .077  -.002      0      0
O3    .5354  .7921    .25       .041   .074   .106  -.033      0      0
O4    .2101  .2474    .25       .023   .047    .08  -.004      0      0
O5    .3112  .3230 -.0245  .5   .067   .080   .066  -.029   .028   .001
O6    .3036  .4564  .1044  .5   .093   .079   .092  -.008  -.004   .050
O7    .3338   .130  .1619  .5   .047   .072   .075   .011   .008  -.034
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Total number of retrieved datasets: 19
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