Graftonite
Calvo C
American Mineralogist 53 (1968) 742-750
The crystal structure of graftonite
_database_code_amcsd 0000170
8.91 11.58 6.239 90 98.9 90 P2_1/c
atom     x      y     z occ Biso
Ca1  .9472  .1208 .8355     1.00
Fe2  .7144  .0790 .3255 .69 1.44
Mn2  .7144  .0790 .3255 .31 1.44
Fe3  .3619  .1915 .1295 .69  .58
Mn3  .3619  .1915 .1295 .31  .58
P1   .0959  .1338 .3956      .22
P2   .6011  .0891 .8024      .21
O1   .0826  .0702 .1787      .98
O2   .4705  .1742 .8241     1.10
O3   .9390  .1915 .4237     1.02
O4   .6888  .1271 .6235      .63
O5   .2165  .2299 .3889     1.32
O6   .7242  .0905 .0070     1.32
O7   .1451  .0586 .5961      .47
O8   .5357 -.0368 .7623      .72