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 #4 from Chichibu
_database_code_amcsd 0001540
15.546 15.546 11.828 90 90 90 *P4/nnc
.25 .25 .25
atom      x      y     z occ
Ca1    -.25    .25   .25
Ca2  -.1892  .0449 .3794
Ca3  -.1013 -.1821 .8907
CaC     .75    .75 .1494  .5
MgB     .75    .75 .0365 .26
FeB     .75    .75 .0365 .24
Al   -.1123  .1211 .1258 .97
Fe   -.1123  .1211 .1258 .03
AlA       0      0     0
Si1     .75    .25     0
Si2  -.1807  .0417 .8714
Si3  -.0839 -.1507 .3645
O1   -.2205  .1727 .0848
O2   -.1173  .1603 .2797
O3   -.0472  .2225 .0755
O4   -.0614  .1056 .4696
O5   -.1710  .0133 .1778
O6   -.1220 -.2734 .0573
O7    .0551  .1705 .3205
O8   -.0604 -.0909 .0671
O9   -.1447 -.1447   .25
OH10    .75    .75 .8657
OH11 -.0035  .0609 .1363