American Mineralogist Crystal Structure Database

1 matching records for this search.

Attakolite
Download hom/attakolite.pdf
Grice J D, Dunn P J
Download am/vol77/AM77_1285.pdf
American Mineralogist 77 (1992) 1285-1291
Attakolite: New data and crystal-structure determination
_database_code_amcsd 0001542
17.188 11.477 7.322 90 113.83 90 C2/m
atom      x      y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca        0  .2592      0       .0109  .0146  .0101      0  .0063      0
Mn    .2870      0  .0488       .0054  .0116  .0125      0  .0013      0
Al1   .1329  .3670  .4964       .0071  .0058  .0071 -.0009  .0027  .0006
Al2   .1190  .1292  .7685       .0068  .0060  .0064 -.0006  .0024  .0000
Si    .0515      0  .3308       .0062  .0061  .0057      0  .0020      0
P1    .4664      0  .2349       .0061  .0071  .0070      0  .0030      0
P2    .2094  .2534  .1948       .0056  .0057  .0060 -.0001  .0025 -.0003
O1    .4068      0  .3532        .008   .012   .011      0  .0056      0
O2    .4045      0  .0169        .010   .018   .008      0  .0027      0
O3   -.0057 -.1135  .2474       .0081  .0082  .0091 -.0002  .0030 -.0003
O4    .2691  .1472  .2618       .0070  .0072  .0073  .0013  .0020 -.0005
O5    .2621  .3610  .1893       .0083  .0076  .0112 -.0006  .0041  .0009
O6    .1629  .2742  .3297       .0118  .0104  .0119 -.0006  .0084 -.0016
O7    .0948      0 -.4268        .011   .007   .009      0   .004      0
O8    .5228 -.1091  .2854       .0079  .0076  .0113  .0010  .0034 -.0001
O9    .1395  .2315 -.0145       .0078  .0096  .0074  .0006  .0018 -.0012
O11   .1258      0  .2566        .015   .020   .012      0   .009      0
O12   .1770     .5  .4372        .012   .009   .009      0   .007      0
O13   .0884  .2440  .5809       .0051  .0109  .0070 -.0019  .0004  .0015
O14   .1546      0 -.0609        .010   .007   .006   .008   .004      0
H1     .339     .5  -.321 0.03
H2     .682      0   .357 0.03
H3     .555  -.226   .510 0.03
H4     .152      0   .021 0.03
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