American Mineralogist Crystal Structure Database

2 matching records for this search.

Fersmite
Download hom/fersmite.pdf
Cummings J P, Simonsen S H
Download am/vol55/AM55_90.pdf
American Mineralogist 55 (1970) 90-97
The crystal structure of calcium niobate (CaNb2O6)
Locality: synthetic
_database_code_amcsd 0000196
14.926 5.752 5.204 90 90 90 Pbcn
atom     x     y     z   Biso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3) B(2,3)
Ca       0 .2244   .75        .00048 .00235 .00283      0 -.00034      0
Nb   .1653 .3166 .2987        .00002 .00098 .00332 .00004  .00011 .00030
O1   .0893 .0997 .4040 1.4988
O2   .1003 .4280 .0056 1.8431
O3   .2576 .1351 .1266  .4638
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
 
Archerite
Download hom/archerite.pdf
Levy H A, Peterson S W, Simonsen S H
 
Physical Review 93 (1954) 1120-1121
Neutron diffraction study of the ferroelectric modification of potassium
dihydrogen phosphate
Note sample at T = 113 K
Note: low temperature polymorph of archerite
_database_code_amcsd 0015150
10.53 10.44 6.90 90 90 90 Fdd2
atom      x      y      z Biso
K         0      0   .512   .4
P         0      0      0   .6
O1    .1160  .0345  .1310   .6
O2   -.0345  .1160 -.1235   .6
H     .1880 -.0375  .1335   2.
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 2
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