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