Vesuvianite
Armbruster T, Gnos E
American Mineralogist 85 (2000) 563-569
P4/n and P4nc long-ranged ordering in low-temperature vesuvianites
Sample: from Asbestos Quebec, Canada
_database_code_amcsd 0002420
15.531 15.531 11.817 90 90 90 *P4/n
.25 -.25 0
atom         x       y       z occ Biso
Si1a      -.25     .25       0      .53
Si1b      -.25     .25      .5      .67
Si2a    -.0404   .3187   .1300      .55
Si2b    -.0417   .1801   .3727      .48
Si3a    .08662   .3490  -.1339      .56
Si3b     .0804  .15049   .6367      .53
Al1a         0       0       0      .55
Al1b       -.5       0      .5      .48
Al2a    -.1135   .1201   .1254  .5  .62
Mg2a    -.1135   .1201   .1254  .5  .62
Al2b    -.3887   .1225   .3733      .51
Ca1       -.25     .25   .2501 .88  .63
Ca2a   -.04524  .18824 -.11935      .64
Ca2b    .19023 -.04298  .62120      .65
Ca3a    .09914  .17886  .12047     1.02
Ca3b   -.39629 -.18512 -.39542      .98
O1a     -.2213   .1723   .0863      .61
O1b     -.2816   .1724   .4144      .70
O2a     -.1173   .3386   .2235      .62
O2b     -.1175   .1581   .2813      .79
O3a     -.0478   .2216   .0762      .66
O3b     -.0489   .2775   .4246      .68
O4a     -.0618   .3936   .0324      .66
O4b     -.0624   .1062   .4723      .66
O5a     -.0107   .3274  -.1768      .91
O5b     -.0178   .1682   .6801      .73
O6a      .1249   .2720  -.0570     1.02
O6b      .1146   .2284   .5621      .96
O7a      .0559   .3255   .1824      .91
O7b      .0556   .1708   .3266      .82
O8a      .0924   .4389  -.0647      .67
O8b      .0899   .0609   .5687      .76
O9       .1484   .3585  -.2495      .77
O10a       .25     .25   .1265      .92
O10b      -.25    -.25  -.3579      1.3
O11a    -.0046   .0603   .1361      .84
H11a     -.018    .027    .203     2.37
O11b    -.4954   .0627   .3659      .81
H11b     -.528    .054    .312     2.37
CaX'4a     .25     .25   .6507      .73
FeY'3a     .25     .25  -.0329      .69
CaX'4b     .25     .25   -.149      .79
FeX'3b     .25     .25   .5388      .79