American Mineralogist Crystal Structure Database

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Spinel
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Bosi F, Halenius U, D'Ippolito V, Andreozzi G B
American Mineralogist 97 (2012) 1834-1840
Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II.
Cation ordering over short-range and long-range scales
Sample: CoAl0.5
Locality: synthetic
_database_code_amcsd 0019574
8.0851 8.0851 8.0851 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
CoT    .125   .125   .125  .06  .0048  .0048  .0048       0       0       0
MgT    .125   .125   .125  .70  .0048  .0048  .0048       0       0       0
AlT    .125   .125   .125  .24  .0048  .0048  .0048       0       0       0
CoM      .5     .5     .5 .005  .0045  .0045  .0045 -.00013 -.00013 -.00013
MgM      .5     .5     .5 .115  .0045  .0045  .0045 -.00013 -.00013 -.00013
AlM      .5     .5     .5  .88  .0045  .0045  .0045 -.00013 -.00013 -.00013
O    .26209 .26209 .26209       .0078  .0078  .0078  .00021  .00021  .00021
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