American Mineralogist Crystal Structure Database

12 matching records for this search.

CsSb2PO8
 
Crosnier M, Guyomard D, Verbaere A, Piffard Y
 
European Journal of Solid State and Inorganic Chemistry 26 (1989) 529-538
Preparation and crystal structure of CsSb2PO8
_cod_database_code 1000281
_database_code_amcsd 0012529
18.165 7.154 13.677 90 120.42 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)
Cs1  .13606      0 .41426  .0258  .0130  .0170      0  .0097      0
Cs2  .88973      0 .07220  .0421  .0148  .0200      0  .0155      0
Sb1  .29432 .24897 .26932 .00465  .0046 .00329 .00050 .00209 .00033
Sb2  .54917      0 .76370  .0034  .0060 .00219      0 .00137      0
Sb3  .62668      0 .26998  .0038  .0068 .00334      0 .00206      0
P1    .6587      0  .0621  .0056  .0078  .0015      0  .0007      0
P2   .60733      0  .4959  .0051  .0077  .0025      0  .0017      0
O1    .3816  .2069  .2300  .0080   .009  .0121   .002  .0070  .0002
O2    .5129      0  .4073   .007   .016   .004      0  .0041      0
O3    .5964      0  .1065   .009   .015   .005      0  .0033      0
O4    .2484      0  .2261   .010   .005   .012      0   .004      0
O5    .7156  .1758  .1043   .012   .009  .0065  -.003  .0043  -.001
O6    .8388      0  .3096   .007   .006   .010      0   .004      0
O7    .6623      0  .4395   .007   .021   .005      0  .0027      0
O8    .7063  .2034  .3074  .0087   .011  .0104  -.003  .0067  -.003
O9    .5349  .1789  .2402  .0084   .008  .0104   .000  .0061   .001
O10   .3727  .1768  .4319   .011   .005  .0063   .001  .0030   .016
O11   .3892      0  .0647   .011   .024   .004      0   .001      0
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Cs4(NbO)2(Si8O21)
 
Crosnier M, Guyomard D, Verbaere A, Piffard Y
 
European Journal of Solid State and Inorganic Chemistry 27 (1990) 435-442
Synthesis and structure of a novel polysilicate
Cs4(NbO)2(Si8O21)
_cod_database_code 1000287
_database_code_amcsd 0012530
7.016 7.840 11.066 77.16 89.95 72.02 P-1
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1  .2095 .2096 .01373  .0140  .0225  .0147 -.0047  .0001  .0028
Cs2  .1750 .2818 .36388  .0162  .0230  .0164 -.0066  .0011 -.0042
Nb1  .7053 .2591 .18545  .0068  .0065  .0066 -.0027  .0010 -.0014
Si1  .6488 .2962  .5012   .008   .007   .008 -.0017  .0008 -.0026
Si2  .4339 .1404  .7125   .005   .011   .007 -.0029  .0004 -.0015
Si3  .6605 .3301  .8693   .007   .011   .008 -.0029  .0018 -.0032
Si4  .9945 .1883  .7047   .006   .008   .008 -.0009  .0004 -.0010
O1      .5    .5     .5
O2    .700  .219  .0099
O3    .862  .265  .5714
O4    .545  .153  .5832
O5    .872 .3003  .8011
O6    .194  .253  .6769
O7    .952  .030  .2415
O8    .562  .550  .8512
O9    .146  .597  .8478
O10   .533  .067  .2195
O11   .482   .75  .2020
O12   .317  .739  .6341
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K O5 Sb Si
 
Crosnier M, Guyomard D, Verbaere A, Piffard Y
 
European Journal of Solid State and Inorganic Chemistry 27 (1990) 845-854
KSbOSiO4: a new isomorphous derivative of KTiOPO4
_cod_database_code 1000298
_database_code_amcsd 0012534
13.005 6.4748 10.614 90 90 90 Pna2_1
atom      x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  .38119 .5002     0  .0057  .0069  .0043  .0005  .0007  .0008
Sb2  .24768 .2526 .2488  .0057  .0074  .0044 -.0004  .0003 -.0002
Si1   .4998 .3271 .2488  .0060  .0086  .0063  -.002 -.0001  -.002
Si2   .1815 .5039 .4994  .0081  .0060  .0062   .000   .005 -.0001
K1    .3816 .7766 .3107   .024   .015   .032  .0064  .0068  .0049
K2    .1073 .6962 .0656  .0138   .024   .036  .0060  .0001   .003
O1    .4846  .491 .1344
O2    .5082 .4661 .3765
O3    .3966 .1834 .2677
O4    .5993  .194 .2318
O5    .1112  .303 .5314
O6    .1077 .6979 .4723
O7    .2558 .5380 .6188
O8    .2626  .452 .3849
O9    .2229  .980 .6322
O10   .2286 .0390 .3777
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Bi0.5 O7 P2 Ta0.5
 
Oyetola S, Verbaere A, Guyomard D, Crosnier M, Piffard Y, Tournoux M
 
European Journal of Solid State and Inorganic Chemistry 28 (1991) 23-36
New ZrP2O7-like diphosphates of either mixed
(M^III^1/2M'^V^1/2) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^
cations (M'=Ta,Nb):synthesis and structure
_cod_database_code 1000327
_database_code_amcsd 0012540
8.253 8.253 8.253 90 90 90 Pa3
atom     x     y     z occ
Bi1      0     0     0  .5
Ta1      0     0     0  .5
P1   .3970 .3970 .3970
O1    .231  .431  .448
O2      .5    .5    .5
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O7 P1.901 Ta0.899
 
Oyetola S, Verbaere A, Guyomard D, Crosnier M, Piffard Y, Tournoux M
 
European Journal of Solid State and Inorganic Chemistry 28 (1991) 23-36
New ZrP2O7-like diphosphates of either mixed
(M^III^1/2M'^V^1/2) cations (M=Sb,Bi,Nd,Eu;M'=Sb, Nb,Ta) or M'^V^
cations (M'=Ta,Nb):synthesis and structure
_cod_database_code 1000328
_database_code_amcsd 0012541
8.109 8.109 8.109 90 90 90 Pa3
atom     x     y     z  occ
Ta1      0     0     0 .899
P1   .3925 .3925 .3925 .951
O1   .4076 .4368 .2117
O2      .5    .5    .5
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Cs8 Nb10 O41 Si6
 
Crosnier M, Pagnoux C, Guyomard D, Verbaere A, Piffard Y, Tournoux M
 
European Journal of Solid State and Inorganic Chemistry 28 (1991) 971-981
The crystal structure of a novel cyclotrisilicate: Cs8Nb10O23(Si3O9)2.
Its relationship with the pyrochlore and benitoite types
_cod_database_code 1000469
_database_code_amcsd 0012545
7.342 7.342 22.16599 90 90 120 P6_3/mmc
atom     x     y      z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Cs1    1/3   2/3 .15558       .0311  .0311  .0276  .0156      0      0
Cs2      0     0 .09183       .0345  .0345  .0233  .0173      0      0
Nb1     .5     0      0       .0264  .0214  .0235  .0107 -.0003 -.0006
Nb2    1/3   2/3 .63573       .0176  .0176  .0158  .0088      0      0
Si1  .8623 .7246    .25       .0011  .0004  .0017  .0002      0      0
O1    .117  .234    .25       .0010  .0007  .0056  .0004      0      0
O2   .2090 .4180  .4816 .917  .0032  .0034  .0031  .0017 -.0003 -.0006
O3   .5457 .0914  .0863       .0043  .0016  .0019  .0008 -.0002 -.0004
O4   .2057 .4114  .6898       .0048  .0017  .0018  .0009  .0003  .0006
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Ba F4 O Ti
 
Crosnier M, Fourquet J
 
European Journal of Solid State and Inorganic Chemistry 29 (1992) 199-206
Synthesis and crystal structure of BaTiOF4
_cod_database_code 1000332
_database_code_amcsd 0012550
5.1719 13.7555 5.5178 90 90 90 Pbcm
atom      x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1   .2430 .0939   .25  .0122  .0094  .0104  .0009      0      0
Ti1   .1887 .8234   .25  .0087  .0067  .0064  .0002      0      0
F1    .6812 .4190 .4869  .0215  .0115  .0135  .0013  .0061 -.0022
F2    .4888 .2652   .25  .0104  .0182  .0179 -.0037      0      0
F3    .1006 .4122   .25  .0134  .0117  .0156 -.0042      0      0
O1   -.0504   .25     0  .0115  .0125  .0086      0      0 -.0018
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Li2 O6 Te Ti
 
Crosnier M, Delarue E, Choisnet J, Fourquet J
 
European Journal of Solid State and Inorganic Chemistry 39 (1992) 321-332
Li^+^-H^+^ exchange on Li2TiTeO6
_cod_database_code 1000334
_database_code_amcsd 0012626
5.0743 4.9067 8.4083 90 90 90 Pnn2
atom    x    y     z  occ
Li1     0    0  .599
Li2     0   .5  .742
Ti1     0   .5 .3066 .915
Te1     0   .5 .3066 .085
Te2     0    0     0 .915
Ti2     0    0     0 .085
O1   .153 .242  .159
O2   .681 .208  .976
O3   .828 .791  .815
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H1.68 Li0.32 O6 Te Ti
 
Crosnier M, Delarue E, Choisnet J, Fourquet J
 
European Journal of Solid State and Inorganic Chemistry 39 (1992) 321-332
Li^+^-H^+^ exchange on Li2TiTeO6
_cod_database_code 1000335
_database_code_amcsd 0012627
5.0098 4.7020 8.6118 90 90 90 Pnnm
atom    x    y     z  occ
Ti1     0    0  .362 .188
Ti2     0   .5 .2975 .312
Te1     0    0     0
O1   .183 .225 .1657
O2   .312 .749     0
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H1.68 Li0.32 O6 Te Ti
 
Crosnier M, Delarue E, Choisnet J, Fourquet J
 
European Journal of Solid State and Inorganic Chemistry 39 (1992) 321-332
Li^+^-H^+^ exchange on Li2TiTeO6
_cod_database_code 1000336
_database_code_amcsd 0012628
4.6861 4.6861 8.8707 90 90 90 P4_2nm
atom    x    y     z  occ
Te1     0    0     0 .885
Ti1     0    0     0 .115
Te2     0    0 .3481 .115
Ti2     0    0 .3481 .885
O1   .291 .291  .028
O2   .300 .300  .351
O3   .307 .307  .674
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K2 Nb2 O14 Si4
 
Crosnier M, Guyomard D, Verbaere A, Piffard Y, Tournoux M
 
Journal of Solid State Chemistry 98 (1992) 128-132
The potassium niobyl cyclotetrasilicate K2(NbO)2Si4O12
_cod_database_code 1000339
_database_code_amcsd 0013735
8.7404 8.7404 8.136 90 90 90 P4bm
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Nb1      0     0 .2160  .0071  .0071  .0079      0      0      0
Nb2      0     0 .7194  .0064  .0064  .0079      0      0      0
K1   .3226 .8226 .9919  .0180  .0180  .0124 -.0034  .0005  .0005
Si1  .1242 .6242 .3015  .0076  .0076  .0039  .0007  .0004  .0004
Si2  .1240 .6240 .6938  .0071  .0071  .0036 -.0001 -.0003 -.0003
O1   .4251 .2882 .2330
O2   .4219 .2892 .7654
O3       0     0     0
O4       0     0 .5010
O5   .1200 .6200 .4968
O6      .5     0  .228
O7      .5     0 .7628
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Ba2 F6 O Ti
 
Crosnier M, Fourquet J
 
Journal of Solid State Chemistry 99 (1992) 355-363
Synthesis and crystal structure of a new acentric oxyfluoride:
Ba2TiOF6
_cod_database_code 1000341
_database_code_amcsd 0013740
11.446 9.304 7.252 90 126.67 90 Cc
atom     x      y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1      0  .1715     0  .0091  .0096  .0098 -.0020  .0056 -.0022
Ba2  .7016  .8779 .6567  .0091  .0091  .0086 -.0003  .0056 -.0008
Ti1  .3263 -.0065 .0856  .0088  .0087  .0100  .0006  .0057  .0014
F1   .2275  .1689 .9509  .0177  .0137  .0186  .0062  .0123  .0060
F2   .5133  .0870 .2648  .0137  .0152  .0221 -.0036  .0128 -.0056
F3   .4203  .8186 .2633  .0105  .0117  .0117  .0015  .0052  .0017
F4   .1445  .0941 .4787  .0113  .0142  .0156  .0001  .0085  .0004
F5   .8858  .9582 .1085  .0124  .0208  .0107 -.0036  .0040  .0032
F6   .1995  .3539 .2831  .0119  .0143  .0116 -.0043  .0050 -.0029
O1   .3321  .0641 .3653  .0242  .0159  .0102 -.0039  .0142 -.0029
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Total number of retrieved datasets: 12
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