Uvarovite
Wildner M, Andrut M
American Mineralogist 86 (2001) 1231-1251
The crystal chemistry of birefringent natural uvarovites: Part II.
Single-crystal X-ray structures
Sample: Sar-899
_database_code_amcsd 0002724
11.959 16.958 16.958 90 90 90 *Fddd
.125 .125 .125
atom          x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca11256  .00019  .06251 -.18750      .0056  .0063  .0051  .0053 -.0007  .0007 -.0011
Ca23       -1/8    -1/8    -1/8      .0055  .0039  .0053  .0074      0      0      0
Ca34       -3/8    -3/8    -3/8      .0055  .0039  .0072  .0055      0      0      0
Cr11367       0       0       0 .888 .0038  .0037  .0036  .0040 -.0000  .0001  .0000
Al11367       0       0       0 .112 .0038  .0037  .0036  .0040 -.0000  .0001  .0000
Cr22458       0       0    -1/2 .535 .0036  .0035  .0036  .0037  .0000  .0000 -.0001
Al22458       0       0    -1/2 .465 .0036  .0035  .0036  .0037  .0000  .0000 -.0001
Si11256  .00068 -.06221 -.31277      .0041  .0041  .0038  .0043  .0001  .0001 -.0001
Si234   -.37565    -1/8    -1/8      .0041  .0037  .0040  .0045      0      0  .0002
O1      -.04628  .30693 -.34570      .0055  .0059  .0056  .0051 -.0001  .0006  .0001
O2       .04757  .34657 -.80752      .0052  .0058  .0045  .0053  .0004 -.0000  .0004
O3      -.03936 -.30325 -.35060      .0055  .0057  .0050  .0057 -.0002 -.0002 -.0007
O4      -.46170 -.59976 -.55307      .0056  .0056  .0065  .0047  .0000  .0004 -.0005
O5      -.65255 -.00410 -.04280      .0054  .0050  .0052  .0061  .0003  .0002  .0003
O6       .15414 -.29305 -.25395      .0055  .0047  .0061  .0056  .0001 -.0006  .0004