American Mineralogist Crystal Structure Database

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Apatite-(CaF)
Download hom/apatitecaf.pdf
Hughes J M, Cameron M, Crowley K D
American Mineralogist 76 (1991) 1857-1862
Ordering of divalent cations in the apatite structure: Crystal structure
refinements of natural Mn- and Sr-bearing apatite
sample Mn.42
_database_code_amcsd 0001428
9.3596 9.3596 6.8603 90 90 120 P6_3/m
atom       x      y      z  occ Biso
Ca1      2/3    1/3 .00155 .918 .828
Mn1      2/3    1/3 .00155 .083 .828
Ca2  -.00704 .24157    .25 .985 .751
Mn2  -.00704 .24157    .25 .015 .751
P     .36937 .39843    .25      .573
O1     .4859  .3273    .25       .97
O2     .4666  .5882    .25      1.29
O3     .2575  .3414  .0707      1.39
F          0      0    .25 .930 1.87
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