Vesuvianite
Ohkawa M, Yoshiasa A, Takeno S
American Mineralogist 77 (1992) 945-953
Crystal chemistry of vesuvianite: Site preferences of square-pyramidal
coordinated sites
sample #3 from Jinmu
_database_code_amcsd 0001539
15.583 15.583 11.801 90 90 90 *P4/nnc
.25 .25 .25
atom      x      y     z occ
Ca1    -.25    .25   .25
Ca2  -.1893  .0441 .3795
Ca3  -.1003 -.1796 .8884
CaC     .75    .75 .1410  .5
FeB     .75    .75 .0555  .5
Al   -.1123  .1209 .1267 .87
Fe   -.1123  .1209 .1267 .13
AlA       0      0     0
Si1     .75    .25     0
Si2  -.1806  .0407 .8711
Si3  -.0827 -.1506 .3645
O1   -.2200  .1728 .0862
O2   -.1175  .1598 .2792
O3   -.0481  .2219 .0762
O4   -.0619  .1064 .4699
O5   -.1703  .0150 .1794
O6   -.1179 -.2720 .0583
O7    .0557  .1726 .3206
O8   -.0608 -.0906 .0664
O9   -.1447 -.1447   .25
OH10    .75    .75 .8625 .09
F10     .75    .75 .8625 .91
OH11 -.0035  .0616 .1360 .46
F11  -.0035  .0616 .1360 .54