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Armenite |
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Armbruster T, Czank M |
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American Mineralogist 77 (1992) 422-430 |
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H2O ordering and superstructures in armenite, BaCa2Al6Si9O30.2H2O: A |
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single-crystal X-ray and TEM study |
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sample from Remigny, Quebec, Canada |
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_database_code_amcsd 0001458 |
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13.874 18.660 10.697 90 90 90 Pnna |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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BaC .25 0 .0052 0.0233 0.0105 0.0100 0.0007 0 0 |
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CaA .2714 -.1679 -.4990 0.0251 0.0101 0.0092 -.0014 0.0000 0.0000 |
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Al11 .75 0 .4977 .78 |
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Si12 .2461 .75 .75 .5 0.6 |
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Al12 .2461 .75 .75 .5 0.6 |
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Si13 .2456 .75 .25 .5 1.0 |
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Al13 .2456 .75 .25 .5 1.0 |
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Si21 .1161 -.0435 -.2914 .77 |
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Si22 .3879 .1237 .2113 .5 .80 |
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Al22 .3879 .1237 .2113 .5 .80 |
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Si23 .3826 -.1209 -.2052 .5 .84 |
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Al23 .3826 -.1209 -.2052 .5 .84 |
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Si24 .1137 -.1655 -.0802 .5 .71 |
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Al24 .1137 -.1655 -.0802 .5 .71 |
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Si25 .1149 .1630 .0859 .5 .81 |
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Al25 .1149 .1630 .0859 .5 .81 |
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Si26 .6104 .0404 .7050 .77 |
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WatB -.0523 -.1748 -.507 0.024 0.037 0.037 0.001 0.003 0.022 |
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O31 .3134 -.2678 -.623 1.0 |
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O32 .3131 -.1779 -.288 0.9 |
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O33 .1823 -.0618 -.413 0.7 |
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O34 .1813 -.2620 -.381 0.9 |
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O35 .1790 -.1795 -.699 1.1 |
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O36 .3257 -.0570 -.582 1.1 |
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O21 .137 -.0988 -.180 2.1 |
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O22 .3588 .1337 .061 1.3 |
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O23 .3571 -.1264 -.052 1.7 |
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O24 .138 .0955 .184 2.0 |
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O25 .360 .0376 .243 2.1 |
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O26 .8554 -.0347 .238 1.4 |
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O11 .003 .1396 .7588 1.3 |
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O12 .502 .9557 .3300 1.3 |
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O13 .501 .3097 .5873 1.2 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Armenite |
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Armbruster T |
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American Mineralogist 84 (1999) 92-101 |
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Si,Al ordering in the double-ring silicate armenite, BaCa2Al6Si9O30.2H2O: |
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A single-crystal X-ray and 29Si MAS NMR study |
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_database_code_amcsd 0002054 |
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18.660 10.697 13.874 90 90 90 Pnc2 |
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atom x y z occ Biso |
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Ba .25003 .75472 .06890 1.165 |
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Ca1 .4182 .2475 .0516 1.11 |
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Ca2 .0825 .2536 .0931 1.11 |
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SiTd1 .2956 .4581 .2070 .36 |
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AlTd2 .1302 -.0512 -.2970 .70 |
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SiTd3 .5830 .3321 .2066 .49 |
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SiTd4 .2081 .0460 .2103 .77 |
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AlTd5 .3722 .9560 .2081 .49 |
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SiTd6 .0857 .6609 -.2940 .54 |
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AlTd7 .5889 .3328 .4352 .62 |
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AlTd8 .0851 .6725 -.0662 .64 |
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SiTd9 .2890 .4547 .4313 .42 |
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SiTdA .1252 .5325 .4324 .61 |
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SiTdB .3721 .9602 .4370 .44 |
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SiTdC .2090 .4597 -.0622 .72 |
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AlTc1 .2511 .2530 .0719 .48 |
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AlTc2 0 0 .0659 .33 |
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SiTc3 0 .5 .0674 .34 |
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SiTc4 .5 0 .0747 .82 |
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AlTc5 .5 .5 .0746 .78 |
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O11 .3851 .9925 .3276 1.0 |
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O12 .2941 .4229 .3191 1.3 |
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O13 .1077 -.0104 -.1780 1.0 |
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O14 .4415 .6622 .3188 1.1 |
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O15 .2049 .0820 .3245 1.1 |
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O16 .9397 .1609 .3166 1.2 |
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O21 .2079 .4973 .4604 1.0 |
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O22 .1249 .7918 -.3221 1.3 |
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O23 .1152 .8234 -.0376 1.1 |
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O24 .3564 .5622 .1863 1.1 |
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O25 .3380 .9270 -.0399 1.0 |
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O26 .1464 .9455 .1867 1.1 |
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O27 .3807 .7995 .1792 .8 |
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O28 .2195 .5204 .1741 .8 |
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O29 .2907 .4994 -.0353 1.2 |
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O210 .2831 .9818 .1796 1.2 |
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O211 .3784 .6875 -.0349 1.0 |
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O212 .1604 .5806 -.0386 .77 |
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O31 .0700 .4677 .1324 .9 |
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O32 .0718 .4439 -.5030 .7 |
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O33 .1925 .1708 .1470 .7 |
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O34 -.0183 .1294 .1362 1.2 |
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O35 .1876 .3388 .0042 .8 |
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O36 -.0113 .3736 .0046 1.3 |
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O37 .4832 .8764 .0086 .4 |
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O38 .4871 .6373 .1404 .2 |
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O39 .3119 .3350 .1419 .8 |
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O310 .3069 .3352 .4989 .8 |
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O311 .4311 .0444 .1370 .9 |
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O312 .4258 .0405 .5061 .9 |
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Wat1 .4252 .2516 .3738 2.0 |
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Wat2 .0725 .2635 .2683 2.8 |
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OCC .255 .753 -.195 .11 1.58 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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