American Mineralogist Crystal Structure Database

1 matching records for this search.

Cafarsite
Download hom/cafarsite.pdf
Edenharter A, Nowacki W, Weibel M
 
Schweizerische Mineralogische und Petrographische Mitteilungen 57 (1977) 1-16
Zur struktur und zusammensetzung von cafarsit, cafarsit ein As(III)-oxid,
kein arsenat
Locality: synthetic
Note: Water positions were not determined
_database_code_amcsd 0015405
15.984 15.984 15.984 90 90 90 *Pn3
.25 .25 .25
atom      x      y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
As1   .3735  .3735 .3735 .85  .0021  .0021  .0021  .0001  .0001  .0001
As2   .2300  .9763 .0376 .90  .0022  .0019  .0020      0      0  .0001
As3   .3918  .6399 .3508 .68  .0015  .0010  .0012      0  .0003  .0001
Ca1   .1561  .1561 .1561 .98  .0039  .0039  .0039  .0017  .0017  .0017
Ca2   .0934  .6258 .3556 .66  .0005  .0008  .0006 -.0001      0  .0002
Ti    .9511    .75   .25      .0015  .0019  .0019      0      0  .0003
Fe1     .25    .75   .75 .74  .0122  .0010  .0017      0      0      0
Fe2  -.0031    .25   .25 .62  .0015  .0018  .0016      0      0      0
Mn1       0      0     0 .80  .0019  .0019  .0019  .0001  .0001  .0001
Mn2  -.0031    .25   .25 .30  .0015  .0018  .0016      0      0      0
O1   -.0027  .9834 .1381 .97  .0025  .0019  .0025  .0016      0 -.0002
O2    .3059  .0032 .3631 .94  .0027  .0024  .0016 -.0001 -.0008  .0003
O3    .2915  .6332 .0465      .0029  .0017  .0024 -.0002  .0005  .0003
O4    .1657  .7367 .1467 .87  .0018  .0018  .0013  .0004      0 -.0002
O5    .1730  .5911 .2228      .0071  .0071  .0051  .0057  .0029  .0031
O6    .0329  .6621 .2239      .0023  .0027  .0025 -.0005  .0008 -.0007
O7    .1746  .4148 .2178      .0062  .0059  .0020 -.0029 -.0003 -.0002
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