American Mineralogist Crystal Structure Database

2 matching records for this search.

Crocoite
Download hom/crocoite.pdf
Bandiello E, Errandonea D, Martinez-Garcia D, Santamaria-Perez D, Manjon F J
 
Physical Review B85 (2012) 024108-10
Effects of high-pressure on the structural, vibrational, and electronic
properties of monzanite-type PbCrO4
Locality: Red Lead mine, Dundas, Tasmania, Australia
_database_code_amcsd 0020242
7.098 7.410 6.779 90 102.4 90 P2_1/n
atom     x     y      z  occ
Pb   .2247 .1515  .4044 .997
Fe   .2247 .1515  .4044 .003
Cr   .1984 .1643  .8845
O1   .2561 .0047  .0568
O2   .1201 .3415 -.0057
O3   .0274 .1047  .6858
O4   .3859 .2152  .7872
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fe2Si
 
Errandonea D, Santamaria-Perez D, Vegas A, Nuss J, Jansen M,
Rodriguez-Hernandez P, Munoz A
 
Physical Review B - Condensed Matter 77 (2008) 094113-1-094113-12
Structural stability of Fe5Si3 and Ni2Si studied by high-pressure
X-ray diffraction and ab initio total-energy calculations
Locality: synthetic
_database_code_amcsd 0019682
4.052 4.052 5.085 90 90 120 P-3m1
atom   x   y   z
Fe1    0   0   0
Fe     0   0  .5
Fe3  1/3 2/3 .78
Si   1/3 2/3 .28
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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