Chalcophanite
Post J E, Appleman D E
American Mineralogist 73 (1988) 1401-1404
Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations
Locality: Bisbee, Arizona
Note: U(1,2) of O3 altered to match symmetry constraints
Note: H positions determined by energy modelling
_database_code_amcsd 0001204
7.533 7.533 20.794 90 90 120 R-3
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mn   .71869 .57771 .99948  .0057  .0058  .0090  .0029  .0002  .0001
Zn        0      0 .09997  .0100  .0100  .0117  .0050      0      0
O1   .52784 .62297 .04721  .0098  .0083  .0080  .0050  .0000 -.0005
O2   .26077 .20655 .05048  .0097  .0095  .0122  .0055  .0028  .0026
O3        0      0 .71250  .0093  .0093  .0063 .00465      0      0
O4   .17900 .93107 .16435  .0152  .0182  .0160  .0073 -.0028  .0004
H1     .229   .025   .198
H2     .310   .940   .144