American Mineralogist Crystal Structure Database

14 matching records for this search.

Ba F5.5 H1.5 Nb O1.5
 
Crosnier-Lopez M, Duroy H, Fourquet J
 
European Journal of Solid State and Inorganic Chemistry 30 (1993) 549-556
BaNbF7-x(OH)x: preparation and crystal structure
_cod_database_code 1000342
_database_code_amcsd 0012578
9.9259 9.9259 9.9259 90 90 90 Pa3
atom     x     y     z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nb1  .2234 .2234 .2234        .0091  .0091  .0091  .0004  .0004  .0004
Ba1     .5    .5    .5        .0134  .0134  .0134  .0012  .0012  .0012
Ba2      0     0     0        .0108  .0108  .0108  .0001  .0001  .0001
F1   .2570 .4443 .6162 .7857  .0170  .0148  .0144 -.0017  .0026  .0034
O1   .2570 .4443 .6162 .2143  .0170  .0148  .0144 -.0017  .0026  .0034
F2   .3627 .2220 .6028 .7857  .0142  .0261  .0158  .0071 -.0014 -.0032
O2   .3627 .2220 .6028 .2143  .0142  .0261  .0158  .0071 -.0014 -.0032
F3   .3351 .3351 .3351 .7857  .0220  .0220  .0220 -.0021 -.0021 -.0021
O3   .3351 .3351 .3351 .2143  .0220  .0220  .0220 -.0021 -.0021 -.0021
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
F2 Na O2 V
 
Crosnier-Lopez M, Duroy H, Fourquet J, Abrabri M
 
European Journal of Solid State and Inorganic Chemistry 31 (1994) 957-965
Synthesis and crystal structure of Na V O2 F2
_cod_database_code 1000373
_database_code_amcsd 0012592
6.399 3.590 7.220 90 110.29 90 P2_1
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1  .6349 .7429 .2086  .0195  .0384  .0190 -.0028  .0076  .0023
V1   .1387   .25 .2157  .0106  .0203  .0137  .0002  .0057  .0000
F1   .6214 .7366 .8816  .0105  .0398  .0195 -.0025  .0075  .0016
F2   .1391 .7272 .7577  .0142  .0356  .0287  .0013  .0130  .0013
O1   .9052 .2321 .8573  .0159  .0174  .0225  .0032  .0093  .0024
O2   .7135 .7521 .5572  .0234  .0501  .0143 -.0015  .0043 -.0014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba3 F9 O Ta
 
Crosnier-Lopez M, Duroy H, Fourquet J, Laligant Y
 
European Journal of Solid State and Inorganic Chemistry 32 (1995) 457-468
Synthesis and crystal structure of Ba3 Ta O F9
_cod_database_code 1000393
_database_code_amcsd 0012597
5.9422 26.39499 5.9590 90 90 90 Cmcm
atom    x      y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ta1     0 .16318   .25      .0291  .0261  .0229      0      0      0
Ba1     0 .31269   .25      .0535  .0179  .0561      0      0      0
Ba2     0 .55842   .25      .0182  .0185  .0239      0      0      0
Ba3     0 .94031   .25      .0245  .0221  .0165      0      0      0
O1   .246      0     0  .5  .0165  .0376  .0152      0      0  .0015
F1   .246      0     0  .5  .0165  .0376  .0152      0      0      0
F2      0  .0867   .25      .0951  .0323  .0793      0      0      0
F3   .228  .1390 .0232      .1300  .1286  .1078 -.0202  .0926 -.0142
F4      0  .4110   .25      .1557  .0266  .2365      0      0      0
F5   .151  .2187 .0961  .5  .1309  .0307  .1169 -.0136  .0752  .0063
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Al6 F34 Na2 Sr7
 
Hemon-Ribaud A, Crosnier-Lopez M, Fourquet J, Courbion G
 
Journal of Fluorine Chemistry 68 (1994) 155-163
On new fluorides with the jarlite-type structure: crystal structures of
Na2 Sr7 Al6 F34, Na2 Sr6 Zn Fe6 F34 and Ba7 Ga6 (F, OH)32 . 2H2O
_cod_database_code 1000398
_database_code_amcsd 0013024
16.07199 10.822 7.258 90 101.23 90 C2/m
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sr1       0      0      0  .0062  .0105  .0122      0  .0007      0
Sr2  .26095      0 .12281  .0097  .0097  .0128      0  .0027      0
Sr3  .14543 .30113 .30265  .0077  .0116  .0090  .0016  .0012 -.0003
Al1  .16876      0  .5441  .0082  .0065  .0060      0  .0018      0
Al2  .11009  .2428  .7991  .0067  .0074  .0061  .0004  .0020  .0001
Na1       0     .5     .5  .0078  .0104  .0088      0  .0033      0
Na2       0     .5      0  .0133  .0260  .0119      0 -.0017      0
F1    .3836  .1306  .0354   .149  .0102  .0110 -.0001  .0035 -.0025
F2    .4052  .1487  .3899  .0217  .0223  .0128  .0079  .0071  .0082
F3    .2783  .2409  .1883  .0083  .0154  .0132 -.0008  .0035 -.0001
F4    .1305  .1323  .9943  .0109  .0117  .0152  .0000  .0023  .0057
F5    .2312  .1165  .4570  .0143  .0161  .0174 -.0055  .0016  .0061
F6    .0002  .2210  .7955  .0077  .0210  .0171  .0013  .0026 -.0008
F7    .1066  .1171  .6292  .0124  .0203  .0251  .0047 -.0011 -.0146
F8    .2462      0  .7622  .0101  .0168  .0101      0 -.0011      0
F9    .1020      0  .3167  .0189  .0262  .0087      0 -.0020      0
F10   .4235      0  .7188  .0129  .0103  .0104      0  .0023      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba4Nb2O3F12
 
Crosnier-Lopez M, Fourquet J
 
Journal of Solid State Chemistry 103 (1993) 131-138
Synthesis and crystal structure of Ba4Nb2O3F12
_cod_database_code 1000324
_database_code_amcsd 0013769
22.672 13.075 14.996 90 114.234 90 C2/c
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .4155  .0063 .6119  .0140  .0088  .0120  .0005  .0069  .0002
Ba2  .4063  .1619 .3407  .0106  .0106  .0084 -.0006  .0032  .0009
Ba3  .4232  .6607 .6106  .0150  .0105  .0132 -.0013  .0088 -.0010
Ba4  .4172  .3319 .6114  .0113  .0087  .0098 -.0006  .0038  .0002
Ba5  .5870  .5058 .1434  .0127  .0103  .0090  .0002  .0029  .0006
Ba6  .7600  .3242 .1678  .0096  .0114  .0096  .0005  .0047  .0005
Nb1  .7628  .3614 .5871  .0110  .0105  .0069 -.0030  .0018  .0007
Nb2  .5610  .1662 .6026  .0086  .0106  .0072 -.0004  .0033 -.0003
Nb3  .7608  .0425 .1111  .0091  .0086  .0080 -.0005  .0038 -.0012
F1   .4568  .1653 .5386  .0102  .0156  .0117 -.0030  .0045 -.0023
F2   .5407  .1631 .4559  .0215  .0136  .0082 -.0006  .0068 -.0011
F3   .4568  .4953 .5473  .0163  .0134  .0109 -.0007  .0068  .0022
F4   .3683  .3344 .4102  .0160  .0152  .0147 -.0005  .0077  .0003
F5   .1751  .1394 .2873  .0191  .0112  .0164  .0002  .0007  .0024
F6   .3544  .1673 .6170  .0158  .0143  .0269  .0002  .0129 -.0004
F7   .2855  .3649 .5256  .0171  .0266  .0151  .0035  .0061 -.0095
F8   .4505  .3337 .2998  .0193  .0118  .0161 -.0003  .0087  .0003
F9   .3653  .8254 .6376  .0187  .0189  .0252   .009  .0145  .0079
F10  .6443  .4853 .3583  .0146  .0188  .0210 -.0071  .0076  .0018
F11  .2749  .4550 .2231  .0223  .0177  .0188 -.0012  .0086  .0065
F12  .5465  .3129 .5495  .0364  .0097  .0218 -.0011  .0131 -.0019
F13  .4316 -.0199 .4384  .0534  .0084  .0240  .0027  .0109  .0002
F14     .5  .4552   .75  .0505  .0234  .0228      0 -.0108      0
F15  .5441  .2553 .6994  .0206  .0548  .0143  .0077  .0054 -.0176
F16  .2812  .2219 .2056  .0196  .0203   .012  .0047  .0059 -.0043
F17  .4538 -.0699 .3037  .0263  .0511  .0190 -.0075  .0092  .0166
F18  .1894  .4717 .8149  .0306  .0143  .0176  .0037  .0122  .0067
F19     .5  .8852   .75  .0454  .0193  .0206      0 -.0075      0
O1   .1430  .3210 .1517  .0119  .0323  .0162 -.0010  .0031  .0004
O2   .2205  .4520 .0062  .0151  .0146  .0134  .0002  .0046 -.0073
O3   .1851 -.0993 .5659  .0122  .0646  .0285  .0058  .0078  .0258
O4   .3057  .1144 .3946  .0166  .0232  .0209 -.0058  .0088  .0018
O5     .25    .25     0  .1126  .0287  .0209  .0418  .0323  .0121
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba3 F12 H4 Nb2 O4
 
Crosnier-Lopez M, Fourquet J
 
Journal of Solid State Chemistry 105 (1993) 92-99
Ba3Nb2O2F12.2H2O: Synthesis and crystal structure
_cod_database_code 1000352
_database_code_amcsd 0013780
22.633 7.804 7.748 90 90 90 Cmc2_1
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0 .1050     0  .0137  .0188  .0112      0      0 -.0018
Ba2  .1951 .3097 .7887  .0119  .0120  .0100  .0010  .0001  .0002
Nb1  .8600 .7676 .7907  .0143  .0240  .0096 -.0101 -.0001  .0004
F1   .2970 .1532 .6368  .0147  .0211  .0106 -.0074 -.0023 -.0019
F2   .3867 .2905 .5405  .0149  .0227  .0158 -.0038  .0022 -.0021
F3   .4362 .3993 .7915  .0151  .0284  .0182 -.0105 -.0004 -.0021
F4   .3830 .2971 .0373  .0215  .0309  .0094 -.0104 -.0014 -.0040
F5   .2950 .1550 .9390  .0147  .0170  .0127 -.0035  .0009  .0003
F6   .3964 .0398 .7947  .0205  .0175  .0317  .0058  .0006  .0022
O1   .3120 .4595 .7848  .0210  .0084  .0244  .0019 -.0011  .0013
O2      .5 .7197 .6630  .0888  .0202  .0218      0      0  .0044
O3      .5 .0350 .4777  .0318  .0256  .0410      0      0  .0039
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba5 F20 H Nb3 O3
 
Crosnier-Lopez M, Duroy H, Fourquet J
 
Journal of Solid State Chemistry 107 (1993) 211-217
Ba5Nb3O3F18(HF2): synthesis and crystal structure
_cod_database_code 1000353
_database_code_amcsd 0013785
11.935 11.935 7.852 90 90 120 P6_3/m
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0     0     0      .0226  .0226  .0082  .0113      0      0
Ba2    1/3   2/3   .25      .0099  .0099  .0151  .0050      0      0
Ba3  .6401 .5605   .25      .0123  .0128  .0109  .0068      0      0
Nb1  .2819 .3285   .25      .0135  .0096  .0110  .0031      0      0
F1   .3921 .4901 .0989      .0170  .0124  .0140  .0050  .0041  .0004
F2   .2434 .8359   .25      .0155  .0142  .0233  .0053      0      0
F3   .2261 .2776 .4900      .0196  .0175  .0126  .0070  .0019  .0020
O1   .1411 .1413   .25  .5  .0306  .0102  .0219 -.0071      0      0
F4   .1411 .1413   .25  .5  .0306  .0102  .0219 -.0071      0      0
O2   .7015 .1152   .25  .5  .0206  .0049  .0366  .0056      0      0
F5   .7015 .1152   .25  .5  .0206  .0049  .0366  .0056      0      0
F6     1/3   2/3 .8907      .0242  .0242  .0110  .0121      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cu F4 H9 Nb O6
 
Crosnier-Lopez M, Duroy H, Fourquet J
 
Journal of Solid State Chemistry 108 (1994) 398-401
About the crystal structure of CuNb(OH,F)7*3H2O
_cod_database_code 1000364
_database_code_amcsd 0013796
5.590 9.978 7.544 90 103.36 90 P2_1/c
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nb1     .5     0    .5       .0241  .0222  .0166 -.0071  .0001 -.0061
Cu1      0     0     0       .0230  .0211  .0146 -.0109  .0064 -.0001
O1   .2287 .3748 .4232  .75  .0592  .0358  .0471  .0325  .0274 -.0018
O2   .1335 .6541 .3937  .75  .0656   .056  .0526  .0047  .0119 -.0068
O3   .2287 .3748 .4232 .125  .0592  .0358  .0471  .0325  .0274 -.0018
O4   .1335 .6541 .3937 .125  .0656   .056  .0526  .0047  .0119 -.0068
F1   .2287 .3748 .4232 .125  .0592  .0358  .0471  .0325  .0274 -.0018
F2   .1335 .6541 .3937 .125  .0656   .056  .0526  .0047  .0119 -.0068
O5   .2749 .1243 .5682 .625  .0479  .0446  .0278 -.0066  .0150  .0081
O6   .3628 .6451 .1159 .625  .0470  .0198  .0239  .0131  .0232 -.0051
F3   .2749 .1243 .5682 .375  .0479  .0446  .0278 -.0066  .0150  .0081
F4   .3628 .6451 .1159 .375  .0470  .0198  .0239  .0131  .0232 -.0051
F5   .7351 .4613 .2212       .0448  .0488  .0182  .0025 -.0082  .0007
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
La2.25 Li2 Nb1.25 O13 Ti2.75
 
Crosnier-Lopez M, Bhuvanesh N, Duroy H, Fourquet J
 
Journal of Solid State Chemistry 145 (1999) 136-149
Irreversible electron-induced structural change during HREM imaging in
lithium Ruddlesden-Popper phases in the series Li2 La(x) (Nb(2n-3x)
Ti(3x-n) O(3n-1)) (n = 2,3,4) and Li2 Sr1.5 (Nb(3-x) Fe(x)) O(10-x)
_cod_database_code 1000503
_database_code_amcsd 0013974
3.88 3.88 32.39999 90 90 90 I4/mmm
atom  x  y    z   occ
Nb1   0  0 .188 .3125
Ti1   0  0 .188 .6875
Nb2   0  0 .058 .3125
Ti2   0  0 .058 .6875
La1  .5 .5    0   .75
La2  .5 .5 .123   .75
O1    0  0 .244
O2   .5  0 .188
O3    0  0  .12
O4   .5  0 .058
O5    0  0    0
Li1  .5  0  .25
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba3 F8 O4 V2
 
Crosnier-Lopez M, Duroy H, Fourquet J
 
Zeitschrift fur Anorganische und Allgemeine Chemie 619 (1993) 1597-1602
Ba3V2O4F8:(V4(O,F)20)^8-^ tetrameric groups of octahedra
inserted in a tridimensional network of (FBa4) tetrahedra
_cod_database_code 1000345
_database_code_amcsd 0015800
9.945 10.277 9.673 90 90 90 Pnnm
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0    .5 .2537      .0089  .0098  .0479  .0002      0      0
Ba2  .2040 .2168     0      .0171  .0132  .0105  .0031      0      0
Ba3  .6639 .3496     0      .0178  .0144  .0169  .0014      0      0
V1   .3643 .3937 .3030      .0188  .0146  .0169  .0039  .0030  .0001
O1       0     0 .1358      .0291  .0514  .0139  .0217      0      0
F1   .7166 .5863    .5      .0140  .0173  .0168  .0028      0      0
F2   .4615 .1413     0      .0242  .0257  .0228 -.0028      0      0
F3   .1431 .4668     0      .0153  .0155  .0287 -.0028      0      0
O2   .1930 .3136 .2712 .25  .0155  .0115  .0201  -.003 -.0033  .0002
F4   .1930 .3136 .2712 .75  .0155  .0115  .0201  -.003 -.0033  .0002
O3   .0669 .7451 .1402 .25  .0241  .0274  .0264 -.0061 -.0033  .0041
F5   .0669 .7451 .1402 .75  .0241  .0274  .0264 -.0061 -.0033  .0041
O4   .4106 .3908 .1356      .0236  .0392  .0235 -.0004  .0023 -.0011
F6   .2608 .5580 .2755      .0184  .0103  .0178 -.0040 -.0056  .0014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba F4 O V
 
Crosnier-Lopez M, Duroy H, Fourquet J
 
Zeitschrift fur Anorganische und Allgemeine Chemie 620 (1993) 309-312
Crystal structure of a new acentric oxide fluoride of V^IV^: BaVOF4
_cod_database_code 1000358
_database_code_amcsd 0015803
7.920 27.60799 7.375 90 90 90 Fdd2
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .7724  .9451     0  .0129  .0113  .0118  .0002  .0001 -.0019
V1   .0047  .3274 .7485  .0101  .0085  .0093 -.0007  .0003 -.0009
F1   .4057  .1370 .9499  .0167  .0144  .0126 -.0033  .0011  .0037
F2   .1659 -.0314 .1690  .0304  .0133  .0163  .0068  .0047 -.0020
F3   .6516  .2023 .5809  .0159  .0221  .0183 -.0027  .0024  .0080
F4   .4708  .1195 .5690  .0114  .0159  .0198 -.0004  .0004 -.0068
O1   .4183 -.0460 .9382  .0120  .0144   .025 -.0016  .0006  .0044
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba7 F26.7 Fe6 H9.3 O7.3
 
Crosnier-Lopez M, Calage Y, Duroy H, Fourquet J
 
Zeitschrift fur Anorganische und Allgemeine Chemie 621 (1995) 1025-1032
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new
defective jarlite-type compound
_cod_database_code 1000374
_database_code_amcsd 0015811
17.036 11.489 7.620 90 101.48 90 C2/m
atom     x     y     z   occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0     0     0        .0103  .0079  .0136      0  .0014      0
Ba2  .2646     0 .1298        .0135  .0114  .0140      0  .0049      0
Ba3  .1413 .2957 .3024        .0142  .0198  .0130 -.0011  .0032 -.0016
Fe1  .1740     0 .5443        .0128  .0083  .0097      0  .0027      0
Fe2  .1106 .2433 .7982        .0132  .0095  .0107  .0002  .0059  .0001
F1   .3844 .1306 .0327 .8344  .0283  .0154  .0147 -.0009  .0113 -.0082
O1   .3844 .1306 .0327 .1656  .0283  .0154  .0147 -.0009  .0113 -.0082
F2   .4059 .1436 .3891 .8344  .0300  .0378  .0202  .0071  .0099  .0124
O2   .4059 .1436 .3891 .1656  .0300  .0378  .0202  .0071  .0099  .0124
F3   .2770 .2427 .1898 .8344  .0189  .0238  .0228 -.0059  .0107 -.0002
O3   .2770 .2427 .1898 .1656  .0189  .0238  .0228 -.0059  .0107 -.0002
F4   .1328 .1321 .9981 .8344  .0168  .0140  .0273  .0005  .0061  .0069
O4   .1328 .1321 .9981 .1656  .0168  .0140  .0273  .0005  .0061  .0069
F5   .2372 .1173 .4554 .8344  .0284  .0202  .0231 -.0097  .0063  .0056
O5   .2372 .1173 .4554 .1656  .0284  .0202  .0231 -.0097  .0063  .0056
F6   .0005 .2079 .7935 .8344  .0145  .0191  .0270  .0003  .0043  .0028
O6   .0005 .2079 .7935 .1656  .0145  .0191  .0270  .0003  .0043  .0028
F7   .1086 .1213 .6152 .8344  .0306  .0373  .0387  .0068 -.0012 -.0291
O7   .1086 .1213 .6152 .1656  .0306  .0373  .0387  .0068 -.0012 -.0291
F8   .2560     0 .7614 .8344  .0159  .0262  .0201      0  .0033      0
O8   .2560     0 .7614 .1656  .0159  .0262  .0201      0  .0033      0
F9   .1112     0 .3055 .8344  .0282  .0527  .0132      0  .0002      0
O9   .1112     0 .3055 .1656  .0282  .0527  .0132      0  .0002      0
O10  .4600     0 .7325        .0418  .0245  .0422      0  .0143      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba7 F32 Fe6 H4 O2
 
Crosnier-Lopez M, Calage Y, Duroy H, Fourquet J
 
Zeitschrift fur Anorganische und Allgemeine Chemie 621 (1995) 1025-1032
Ba7 Fe6 F32 . 2(H2 O): original isolated trimers (Fe3 F16)(7-) in a new
defective jarlite-type compound
_cod_database_code 1000375
_database_code_amcsd 0015812
17.02299 11.482 7.624 90 101.13 90 C2/m
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0     0     0  .0084  .0090  .0132      0  .0005      0
Ba2  .2644     0 .1287  .0121  .0118  .0135      0  .0033      0
Ba3  .1407 .2946 .3026  .0120  .0208  .0130 -.0016  .0018 -.0020
Fe1  .1754     0 .5445  .0113  .0088  .0079      0  .0015      0
Fe2  .1109 .2432 .7998  .0109  .0103  .0104 -.0009  .0032 -.0003
F1   .3852 .1312 .0323  .0249  .0165  .0174 -.0032  .0085 -.0057
F2   .4059 .1437 .3878  .0378  .0309  .0176  .0119  .0098  .0112
F3   .2767 .2413 .1884  .0128  .0247  .0192 -.0042  .0067 -.0010
F4   .1331 .1322 .9990  .0130  .0165  .0245 -.0004  .0007  .0107
F5   .2383 .1171 .4548  .0245  .0234  .0192 -.0095  .0010  .0050
F6   .0013 .2075 .7968  .0103  .0183  .0274  .0017  .0031  .0025
F7   .1104 .1198 .6193  .0234  .0372  .0431  .0103 -.0043 -.0300
F8   .2568     0 .7600  .0204  .0252  .0093      0 -.0024      0
F9   .1129     0 .3083  .0213  .0453  .0134      0 -.0043      0
O10  .4610     0 .7342  .0364  .0302  .0509      0   .020      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ba4 F13 H5 Mo2 O6
 
Fourquet J, Duroy H, Crosnier-Lopez M
 
Zeitschrift fur Anorganische und Allgemeine Chemie 623 (1997) 439-443
Synthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O
_cod_database_code 1000451
_database_code_amcsd 0015815
16.49699 8.6939 11.5174 90 90 90 Pnnm
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .3125 .0145     0  .0131  .0090  .0168  .0003      0      0
Ba2  .1106 .2545 .1799  .0125  .0106  .0098 -.0004  .0006 -.0001
Ba3  .3090 .4878     0  .0137  .0088  .0141 -.0001      0      0
Mo1  .3416 .2532 .3399  .0103  .0131  .0078  .0003  .0002 -.0004
O1   .0654 .7527    .5  .0212  .0199  .0294  .0020      0      0
O2   .3289 .4514 .3479  .0275  .0117  .0254 -.0041  .0068 -.0025
O3   .4416 .2339 .3047  .0153  .0281  .0279  .0050  .0069 -.0048
O4   .3434 .2131    .5  .0236  .0342  .0137  .0000      0      0
F1   .2932 .7473    .5  .0144  .0167  .0124  .0004      0      0
F2   .3047 .2485 .1765  .0337  .0256  .0098  .0027 -.0076 -.0012
F3   .2105 .2513 .3699  .0135  .0133  .0190  .0009  .0017 -.0001
F4   .1895 .5282 .1743  .0260  .0128  .0251 -.0010  .0003  .0020
F5   .0605 .0624 .3575  .0204  .0314  .0240  .0090 -.0050  .0100
F6   .0601 .4355 .3622  .0198  .0263  .0253  .0082 -.0033 -.0062
F7   .0447 .0978     0  .0349  .0276  .0164 -.0161      0      0
F8   .4457 .9210    .5  .0276  .0243  .0242 -.0123      0      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 14
View in amc, download in amc

Return to AMCSD Home Page