American Mineralogist Crystal Structure Database

2 matching records for this search.

CaGe2O5
 
Nemeth P, Leinenweber K, Groy T L, Buseck P R
Download am/vol92/AM92_441.pdf
American Mineralogist 92 (2007) 441-443
A new high-pressure CaGe2O5 polymorph with 5- and 6-coordinated germanium
_database_code_amcsd 0004283
7.306 8.268 5.714 90 90 90 Pbam
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .1355 .66590     .5 .0062  .0069  .0058  .0059  .0006   .000   .000
Ge1       0      0 .25331 .0045  .0055  .0045  .0036 -.0001   .000   .000
Ge2  .89175 .64576      0 .0045  .0045  .0048  .0041 -.0001   .000   .000
O1    .1055  .2076  .2389 .0066  .0105  .0052  .0041 -.0009 -.0001  .0013
O2        0     .5  .2071 .0074   .009   .008   .005  .0019   .000   .000
O3    .1567  .9446     .5 .0060   .006   .008   .004  .0010   .000   .000
O4    .6564  .5719      0 .0064   .006   .009   .004 -.0008   .000   .000
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CaGe2O5
 
Nestola F, Nemeth P, Angel R J, Buseck P R
 
American Mineralogist 93 (2008) 1424-1428
Equation of state and crystal structure of a new germanate post-titanite phase
Locality: synthetic
Note: pressure = 8.6 GPa
_database_code_amcsd 0004635
7.1236 8.1912 5.6468 90 90 90 Pbam
atom     x      y     z  Uiso
Ca   .1313  .6663    .5 .0053
Ge1      0      0 .2543 .0044
Ge2  .8918  .6468     0 .0039
O1   .1087  .2079  .243  .005
O2       0     .5  .204  .005
O3    .161  .9439    .5  .005
O4    .655   .575     0  .005
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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