Kettnerite
Hybler J, Dusek M
European Journal of Mineralogy 19 (2007) 411-418
Revision of the crystal structure of kettnerite CaBi[OFCO3]
Locality: Krupka, Czech Republic
_database_code_amcsd 0007224
5.3641 5.3641 13.5771 90 90 90 Pbaa
atom    x    y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca    .25    0  .4002  .008   .010   .003   .009   .001      0      0
Bi    .25    0 .09429 .0117  .0127  .0124  .0101  .0008      0      0
F    .019  .25     .5  .005
C     .25   .5  .2555  .016
O1   .003  .25      0  .005
O2    .25   .5  .1609  .021
O3   .383 .344  .2990  .009