Calcite
Paquette J, Reeder R J
American Mineralogist 75 (1990) 1151-1158
Single-crystal X-ray structure refinements of two biogenic magnesian calcite
crystals
sample LB
_database_code_amcsd 0001328
4.9382 4.9382 16.832 90 90 120 R-32/c
atom     x y   z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca       0 0   0 .871  .0190  .0190 .00131  .0095      0      0
Mg       0 0   0 .129  .0190  .0190 .00131  .0095      0      0
C        0 0 .25       .0171  .0171 .00147 .00855      0      0
O    .2587 0 .25       .0223   .044 .00259   .022 -.0009 -.0018