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