American Mineralogist Crystal Structure Database

5 matching records for this search.

Cryptomelane
Download hom/cryptomelane.pdf
Vicat J, Fanchon E, Strobel P, Tran Qui D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=42&spage=162
Acta Crystallographica B42 (1986) 162-167
The structure of K1.33Mn8O16 and cation ordering in hollandite-type structures
Locality: synthetic
_cod_database_code 1008322
_database_code_amcsd 0016237
9.866 9.866 2.872 90 90 90 I4/m
atom      x      y     z   occ
K         0      0 .3754 .3333
Mn   .34891 .16621     0
O1   .15445 .20295     0
O2   .54206 .16496     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)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cs1.062 O16 Ti8
 
Fanchon E, Hodeau J, Vicat J, Watts J
 
Journal of Solid State Chemistry 92 (1991) 88-100
Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of
the mixed valence CsTi8O16 hollandite: structuresat 297 and 673K
_cod_database_code 1008513
_database_code_amcsd 0016406
14.524 14.524 5.936 90 90 90 I4_1/a
atom      x      y      z  occ
Cs1       0      0      0 .509
Cs2       0      0     .5 .148
Cs3       0      0   .059 .101
Cs4       0      0   .558 .101
Ti1  .25813 .40887 .99632
Ti2  .24368 .09203 .99582
O1    .1834  .5257 -.0048
O2    .3517  .3134  .0041
O3    .3168 -.0253 -.0042
O4    .1479  .1857  .0025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Cs1.1 O16 Ti8
 
Fanchon E, Hodeau J, Vicat J, Watts J
 
Journal of Solid State Chemistry 92 (1991) 88-100
Three-dimensional/one-dimensional transition in the Cs^+^ sublattice of
the mixed valence CsTi8O16 hollandite: structures at 297 and 673K
_cod_database_code 1008514
_database_code_amcsd 0016407
10.317 10.317 2.980 90 90 90 I4/m
atom     x     y  z occ
Cs1      0     0 .5 .55
Ti1  .3491 .1659  0
O1   .1583 .2078  0
O2   .5383 .1649  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: 5
View in amc, download in amc

Return to AMCSD Home Page