Calcite
Effenberger H, Mereiter K, Zemann J
Zeitschrift fur Kristallographie 156 (1981) 233-243
Crystal structure refinements of magnesite, calcite, rhodochrosite, siderite,
smithsonite, and dolomite, with discussion of some aspects of the
stereochemistry of calcite type carbonates
Locality: Iceland
_database_code_amcsd 0020835
4.9896 4.9896 17.0610 90 90 120 R-3c
atom      x y   z occ U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ca        0 0   0 .99 .00989 .00989 .00972 .004945       0       0
Mg        0 0   0 .01 .00989 .00989 .00972 .004945       0       0
C         0 0 .25     .00851 .00851 .01161 .004255       0       0
O    .25682 0 .25     .01108 .02176 .02057  .01088 -.00411 -.00822