Kutnohorite
Peacor D R, Essene E J, Gaines A M
American Mineralogist 72 (1987) 319-328
Petrologic and crystal-chemical implications of cation order-disorder in
kutnahorite (CaMn(CO3)2)
Sample: Bald Knob kutnahorite
Note: B(1,2) for MnA/CaA has been altered to match symmetry constraints.
Note: B(1,1) and B(2,2) for CaB/MnB have been corrected.
_database_code_amcsd 0001069
4.8732 4.8732 16.349 90 90 120 R-3
atom     x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
CaA      0     0     0 .49  .0115  .0115  .0010 .00575      0      0
MnA      0     0     0 .51  .0115  .0115  .0010 .00575      0      0
CaB      0     0    .5 .53  .0112  .0112  .0010  .0056      0      0
MnB      0     0    .5 .47  .0112  .0112  .0010  .0056      0      0
C        0     0 .2495      .0122  .0122  .0011  .0061      0      0
O    .2634 .9995 .2496      .0131  .0272  .0019  .0125 -.0001 -.0003