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 #1 from Sauland
_database_code_amcsd 0001537
15.517 15.517 11.781 90 90 90 *P4/nnc
.25 .25 .25
atom      x      y     z occ
Ca1     .75    .25   .25
Ca2  -.1891  .0443 .3795
Ca3  -.1015 -.1802 .8882
CaC     .75    .75 .1428  .5
CuB     .75    .75 .0543 .26
MgB     .75    .75 .0543 .24
Mg   -.1124  .1211 .1265 .14
Al   -.1124  .1211 .1265 .86
AlA       0      0     0
Si1     .75    .25     0
Si2  -.1810  .0406 .8709
Si3  -.0831 -.1508 .3648
O1   -.2189  .1726 .0858
O2   -.1168  .1593 .2784
O3   -.0489  .2215 .0767
O4   -.0619  .1065 .4707
O5   -.1701  .0153 .1780
O6   -.1189 -.2716 .0586
O7    .0561  .1733 .3212
O8   -.0606 -.0908 .0663
O9   -.1447 -.1447   .25
OH10    .75    .75 .8676 .42
F10     .75    .75 .8676 .58
OH11 -.0046  .0625 .1362 .47
F11  -.0046  .0625 .1362 .53