Armenite
Armbruster T, Czank M
American Mineralogist 77 (1992) 422-430
H2O ordering and superstructures in armenite, BaCa2Al6Si9O30.2H2O: A
single-crystal X-ray and TEM study
sample from Remigny, Quebec, Canada
_database_code_amcsd 0001458
13.874 18.660 10.697 90 90 90 Pnna
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
BaC     .25      0  .0052          0.0233 0.0105 0.0100 0.0007      0      0
CaA   .2714 -.1679 -.4990          0.0251 0.0101 0.0092 -.0014 0.0000 0.0000
Al11    .75      0  .4977      .78
Si12  .2461    .75    .75  .5  0.6
Al12  .2461    .75    .75  .5  0.6
Si13  .2456    .75    .25  .5  1.0
Al13  .2456    .75    .25  .5  1.0
Si21  .1161 -.0435 -.2914      .77
Si22  .3879  .1237  .2113  .5  .80
Al22  .3879  .1237  .2113  .5  .80
Si23  .3826 -.1209 -.2052  .5  .84
Al23  .3826 -.1209 -.2052  .5  .84
Si24  .1137 -.1655 -.0802  .5  .71
Al24  .1137 -.1655 -.0802  .5  .71
Si25  .1149  .1630  .0859  .5  .81
Al25  .1149  .1630  .0859  .5  .81
Si26  .6104  .0404  .7050      .77
WatB -.0523 -.1748  -.507           0.024  0.037  0.037  0.001  0.003  0.022
O31   .3134 -.2678  -.623      1.0
O32   .3131 -.1779  -.288      0.9
O33   .1823 -.0618  -.413      0.7
O34   .1813 -.2620  -.381      0.9
O35   .1790 -.1795  -.699      1.1
O36   .3257 -.0570  -.582      1.1
O21    .137 -.0988  -.180      2.1
O22   .3588  .1337   .061      1.3
O23   .3571 -.1264  -.052      1.7
O24    .138  .0955   .184      2.0
O25    .360  .0376   .243      2.1
O26   .8554 -.0347   .238      1.4
O11    .003  .1396  .7588      1.3
O12    .502  .9557  .3300      1.3
O13    .501  .3097  .5873      1.2