American Mineralogist Crystal Structure Database

5 matching records for this search.

Ba1.2Ti6.8Mg1.2O16
 
Fanchon E, Vicat J, Hodeau J, Wolfers P, Duc Tran Qui, Strobel P
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=43&spage=440
Acta Crystallographica B43 (1987) 440-448
Commensurate ordering and domains in the Ba1.2Ti6.8Mg1.2O16 hollandite
_cod_database_code 1008813
_database_code_amcsd 0016683
10.227 14.907 9.964 90 90.77 90 I2/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 .13264     0      .0133  .0180  .0146      0  .0006      0
Ba2      0     .5     0      .0183  .0171  .0173      0  .0005      0
Ti1  .6556      0 .1630 .85
Mg1  .6556      0 .1630 .15
Ti2  .6428  .1993 .1779 .85
Mg2  .6428  .1993 .1779 .15
Ti3  .6474  .4001 .1629 .85
Mg3  .6474  .4001 .1629 .15
Ti4  .1580      0 .3400 .85
Mg4  .1580      0 .3400 .15
Ti5  .1731  .1993 .3540 .85
Mg5  .1731  .1993 .3540 .15
Ti6  .1613  .3999 .3476 .85
Mg6  .1613  .3999 .3476 .15
O1    .845      0  .195
O2    .842   .201 .1974
O3    .842  .4017  .200
O4    .851      0  .461
O5   .8449   .200 .4576
O6   .8363  .3989  .460
O7    .203      0  .149
O8   .2048   .198  .151
O9    .206  .4004  .150
O10   .462      0  .169
O11  .4573   .201 .1716
O12   .459  .3994 .1838
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As H2 Li O4
 
Fanchon E, Vicat J, Duc Tran Qui, Boudjada A
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=43&spage=1022
Acta Crystallographica C43 (1987) 1022-1025
Absolute structure of LiH2AsO4
_cod_database_code 1008335
_database_code_amcsd 0016246
6.416 7.727 7.298 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)
As1  .30199 .42074 .17317  .0146  .0122  .0105  .0010  .0009  .0016
O1    .2796  .3141  .3676  .0173  .0218  .0139  .0019  .0021  .0064
O2    .4218  .6172  .1998  .0330  .0196  .0133 -.0091 -.0041  .0024
O3    .0612  .4887  .0956  .0186  .0161  .0284  .0011 -.0068  .0042
O4    .4216  .3093  .0098  .0293  .0195  .0160  .0063  .0077  .0018
Li1   .4835  .7847 -.0001  .0186  .0225  .0131 -.0002 -.0018  .0002
H1    -.009   .359   .034
H2     .473   .632   .296
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Cu Li O4 V
 
Durif A, Grenier J, Joubert J, Duc Tran Qui
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 89 (1966) 407-409
Structure cristallographique de l'orthovanadate de lithium-cuivre, VLiCuO4
_cod_database_code 1007051
_database_code_amcsd 0012120
5.652 5.81 8.75 90 90 90 Imma
atom   x   y    z
V1     0 .25 .387
Cu1    0   0    0
Li1  .25 .25  .75
O1     0 .01 .275
O2   .23 .25    0
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H8 Mn N2 O12 P4
 
Duc Tran Qui, Tordjman I, Averbuch M, Bassi G
 
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 93 (1970) 413-420
Structure cristalline du polyphosphate de manganese-ammonium
_cod_database_code 1008108
_database_code_amcsd 0016050
11.297 12.993 7.839 90 101.5 90 P2_1/n
atom     x      y     z
Mn1  .0164  .1492 .7645
P1   .4119  .4063 .8380
P2   .2065  .3108 .5922
P3   .3412  .1635 .4125
P4   .1268  .0683 .1815
N1   .1581   .365 .0865
N2   .3638  .1151 .9274
O1   .1340  .3975 .5142
O2   .1532  .2467 .7233
O3   .2325  .2452 .4539
O4   .3434  .3423  .695
O5   .4104  .2164 .2779
O6   .4124  .1138 .5671
O7   .2640  .0802 .2978
O8   .1229  .1366 .0377
O9   .1006 -.0423 .1430
O10  .0554  .1105 .3187
O11  .3997  .3588 .0019
O12  .3849  .5187 .8140
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Ge Mn2 S4
 
Duc Tran Qui, Vincent H, Bertaut E, Qui Vu Van
 
Solid State Communications 7 (1969) 641-645
Etude par Diffraction Neutronique de la Structure Nucleaire et
Magnetique de l'Orthothiogermanate de Manganese
_cod_database_code 1008109
_database_code_amcsd 0016051
12.796 7.454 6.034 90 90 90 Pnma
atom    x    y    z
Mn1     0    0    0
Mn2  .266  .25 .496
Ge1  .408  .25 .089
S1   .322 .014 .243
S2   .405  .25 .732
S3   .566  .25 .257
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Total number of retrieved datasets: 5
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