American Mineralogist Crystal Structure Database

3 matching records for this search.

Kutnohorite
Download hom/kutnohorite.pdf
Graf D L
Download am/vol46/AM46_1283.pdf
American Mineralogist 46 (1961) 1283-1316
Crystallographic tables for the rhombohedral carbonates
Note: Disordered model
_database_code_amcsd 0000106
4.8797 4.8797 16.367 90 90 120 R-3c
atom     x y   z occ
Ca       0 0   0  .5
Mn       0 0   0  .5
C        0 0 .25
O    .2635 0 .25
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Kutnohorite
Download hom/kutnohorite.pdf
Peacor D R, Essene E J, Gaines A M
Download am/vol72/AM72_319.pdf
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
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Kutnohorite
Download hom/kutnohorite.pdf
Peacor D R, Essene E J, Gaines A M
Download am/vol72/AM72_319.pdf
American Mineralogist 72 (1987) 319-328
Petrologic and crystal-chemical implications of cation order-disorder in
kutnahorite (CaMn(CO3)2)
Sample: Sterling Hill kutnahorite
_database_code_amcsd 0001070
4.894 4.894 16.50 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 .84  .0120  .0120  .0011  .0060      0      0
MnA      0     0     0 .16  .0120  .0120  .0011  .0060      0      0
CaB      0     0    .5 .27  .0108  .0108  .0011  .0054      0      0
MnB      0     0    .5 .73  .0108  .0108  .0011  .0054      0      0
C        0     0 .2461      .0124  .0124  .0013  .0062      0      0
O    .2568 .9850 .2472      .0122  .0244  .0017  .0111 -.0004 -.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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Total number of retrieved datasets: 3
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