American Mineralogist Crystal Structure Database

1 matching records for this search.

Armenite
Download hom/armenite.pdf
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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