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
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Armenite
Armbruster T
American Mineralogist 84 (1999) 92-101
Si,Al ordering in the double-ring silicate armenite, BaCa2Al6Si9O30.2H2O:
A single-crystal X-ray and 29Si MAS NMR study
_database_code_amcsd 0002054
18.660 10.697 13.874 90 90 90 Pnc2
atom x y z occ Biso
Ba .25003 .75472 .06890 1.165
Ca1 .4182 .2475 .0516 1.11
Ca2 .0825 .2536 .0931 1.11
SiTd1 .2956 .4581 .2070 .36
AlTd2 .1302 -.0512 -.2970 .70
SiTd3 .5830 .3321 .2066 .49
SiTd4 .2081 .0460 .2103 .77
AlTd5 .3722 .9560 .2081 .49
SiTd6 .0857 .6609 -.2940 .54
AlTd7 .5889 .3328 .4352 .62
AlTd8 .0851 .6725 -.0662 .64
SiTd9 .2890 .4547 .4313 .42
SiTdA .1252 .5325 .4324 .61
SiTdB .3721 .9602 .4370 .44
SiTdC .2090 .4597 -.0622 .72
AlTc1 .2511 .2530 .0719 .48
AlTc2 0 0 .0659 .33
SiTc3 0 .5 .0674 .34
SiTc4 .5 0 .0747 .82
AlTc5 .5 .5 .0746 .78
O11 .3851 .9925 .3276 1.0
O12 .2941 .4229 .3191 1.3
O13 .1077 -.0104 -.1780 1.0
O14 .4415 .6622 .3188 1.1
O15 .2049 .0820 .3245 1.1
O16 .9397 .1609 .3166 1.2
O21 .2079 .4973 .4604 1.0
O22 .1249 .7918 -.3221 1.3
O23 .1152 .8234 -.0376 1.1
O24 .3564 .5622 .1863 1.1
O25 .3380 .9270 -.0399 1.0
O26 .1464 .9455 .1867 1.1
O27 .3807 .7995 .1792 .8
O28 .2195 .5204 .1741 .8
O29 .2907 .4994 -.0353 1.2
O210 .2831 .9818 .1796 1.2
O211 .3784 .6875 -.0349 1.0
O212 .1604 .5806 -.0386 .77
O31 .0700 .4677 .1324 .9
O32 .0718 .4439 -.5030 .7
O33 .1925 .1708 .1470 .7
O34 -.0183 .1294 .1362 1.2
O35 .1876 .3388 .0042 .8
O36 -.0113 .3736 .0046 1.3
O37 .4832 .8764 .0086 .4
O38 .4871 .6373 .1404 .2
O39 .3119 .3350 .1419 .8
O310 .3069 .3352 .4989 .8
O311 .4311 .0444 .1370 .9
O312 .4258 .0405 .5061 .9
Wat1 .4252 .2516 .3738 2.0
Wat2 .0725 .2635 .2683 2.8
OCC .255 .753 -.195 .11 1.58
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