American Mineralogist Crystal Structure Database

3 matching records for this search.

Phosphammite
Download hom/phosphammite.pdf
Khan A A, Roux J P, James W J
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=28&spage=2065
Acta Crystallographica B28 (1972) 2065-2069
The crystal structure of diammonium hydrogen phosphate, (NH4)2HPO4
_database_code_amcsd 0009438
11.043 6.700 8.031 90 113.42 90 P2_1/c
atom      x      y      z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
N1    .4517  .1190  .1608       .0050  .0128  .0129  .0003  .0031 -.0001
N2    .1217  .3857  .2620       .0052  .0099  .0114 -.0002  .0026 -.0006
H1     .179   .876   .137  3.1
H2     .513   .160   .115  1.3
H3     .418   .000   .115  1.1
H4     .496   .121   .285  1.8
H5     .392   .205   .127  1.2
H6     .170   .405   .186  1.9
H7     .125   .498   .315   .5
H8     .161   .292   .348   .9
H9     .043   .351   .197   .8
P    .24913 .89110 .43043       .0040  .0080  .0078  .0002  .0022 -.0004
O1    .2039  .9678  .2277       .0098  .0102  .0094  .0003  .0039  .0002
O2    .2644  .0823  .5394       .0064  .0108  .0113 -.0010  .0038 -.0023
O3    .3767  .7735  .4845       .0054  .0159  .0136  .0022  .0034 -.0001
O4    .1389  .7602  .4409       .0049  .0111  .0110 -.0007  .0023  .0005
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BiFeO3
 
Moreau J, Michel C, Gerson R, James W
 
Journal of Physics and Chemistry of Solids 32 (1971) 1315-1320
Ferroelectric BiFeO3 X-Ray and neutron diffraction study
_cod_database_code 1001090
_database_code_amcsd 0013200
5.5876 5.5876 13.867 90 90 120 R3c
atom    x    y     z
Bi1     0    0     0
Fe1     0    0 .2212
O1   .443 .012 .9543
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Vanadium
 
James W J, Straumanis M E
 
Journal of the Electrochemical Society 107 (1960) 69-69
Lattice parameter and expansion coefficient of vanadium
Locality: synthetic
Sample: at T = 25C
_database_code_amcsd 0014111
3.0241 3.0241 3.0241 90 90 90 Im3m
atom x y z
V    0 0 0
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Total number of retrieved datasets: 3
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