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
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Chalcophanite
Post J E, Appleman D E
American Mineralogist 73 (1988) 1401-1404
Chalcophanite, ZnMn3O7.3(H2O): New crystal-structure determinations
Locality: Sterling Hill, New Jersey
Note: U(1,2) of O3 altered to match symmetry constraints
_database_code_amcsd 0001205
7.541 7.541 20.824 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 .71873 .57764 .99951 .0052 .0055 .0065 .0028 .0000 -.00001
Zn 0 0 .09995 .0102 .0102 .0099 .0051 0 0
O1 .52817 .62287 .04701 .0094 .0065 .0076 .0041 .0007 -.0003
O2 .26021 .20621 .05036 .0098 .0087 .0089 .0054 .0012 -.0008
O3 0 0 .71224 .0095 .0095 .0063 .00475 0 0
Wat4 .17910 .92996 .16463 .0169 .0166 .0128 .0069 -.0019 .0007
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
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