CaGeO3
Nakatsuka A, Chaya H, Yoshiasa A
American Mineralogist 90 (2005) 732-736
Crystal structure of single-crystal CaGeO3 tetragonal garnet synthesized at 3 GPa and 1000 C
Note: alternate origin, resulting in coordinates similar to some majorite refinements
_database_code_amcsd 0003773
12.535 12.535 12.370 90 90 90 *I4_1/a
.5 .25 .125
atom      x       y      z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX1 .12459  .00296 .25307 .449  .0036  .0060  .0075 -.0009  .0005  .0011
CaX2      0     .25 .62325 .453  .0085  .0038  .0049 -.0011      0      0
CaY1      0       0     .5 .420  .0040  .0055  .0065  .0001  .0004      0
GeY2      0       0      0 .288  .0025  .0034  .0050  .0001  .0002 -.0005
GeZ1      0     .25   .375 .319  .0043  .0043  .0035      0      0      0
GeZ2      0     .25   .875 .381  .0044  .0044  .0057      0      0      0
GeZ3 .12647  .01509 .75723 .263  .0024  .0028  .0048 -.0001  .0002 -.0003
O1   .03087  .06623 .67127 .482  .0046  .0067  .0071  .0023 -.0009 -.0002
O2   .04303 -.04195 .86141 .407  .0041  .0061  .0053 -.0019  .0012 -.0016
O3   .22260  .11082 .80554 .288  .0029  .0007  .0073  .0009  .0004  .0019
O4   .21030 -.07756 .69968 .503  .0057  .0041  .0094  .0033  .0012 -.0010
O5  -.06722  .16676 .46628 .426  .0032  .0055  .0075 -.0020 -.0006  .0012
O6  -.10350  .20977 .78439 .560  .0049  .0046  .0118  .0031  .0008 -.0024