American Mineralogist Crystal Structure Database

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Walentaite
Download hom/walentaite.pdf
Grey I E, Mumme W G, Hochleitner R
 
European Journal of Mineralogy 31 (2019) 111-116
Trimeric As3+3O6 clusters in walentaite: crystal structure and revised formula
Locality: White Elephant mine, Pringle, South Dakota, USA
_database_code_amcsd 0020839
26.188 7.3600 10.367 90 90 90 Imma
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1    .25   .25   .25      .024   .033   .021   .018      0  -.001      0
Fe2  .3244    .5    .5      .024   .032   .018   .024      0      0      0
P1   .3742   .25 .2809 .842 .028   .030   .026   .027      0   .004      0
As1  .3742   .25 .2809 .158 .028
As2  .2121 .0274 .5106 .396 .030   .034   .029   .027   .003   .001  -.001
As3  .2698 .3025 .6925 .240 .026   .035   .019   .025   .002   .004   .002
Mn1     .5   .75 .2947 .652 .059   .076   .035   .068      0      0      0
Ca1     .5   .75 .1681 .256 .033
Ca2  .1851     0    .5 .226 .045
O1   .4206   .25 .1912      .043   .042   .049   .038      0   .008      0
O2   .3237   .25 .1993      .042   .033   .062   .031      0   .004      0
O3   .3748 .4238 .3703      .033   .037   .023   .039  -.001   .008   .002
O4A  .2656 .5380 .6280  .36 .025   .029   .022   .024   .003  -.001  -.003
O4B  .2595 .5710 .6080  .64 .025   .029   .022   .024   .003  -.001  -.003
O5   .3207   .25 .5771      .028   .039   .019   .026      0   .001      0
O6   .2111   .25 .5938  .52 .035   .035   .022   .050      0   .012      0
OW1A .5716   .75 .3193  .44 .040
OW1B .5858   .75 .2577  .40 .045
OW2A    .5 .4560 .2751  .56 .049
OW2B    .5 .5160 .1880 .334 .072
OW3  .5220   .75 .4830  .09 .099
OW4      0   .25 .5870  .24 .062
OW5  .4387 .5500 .0280  .25 .084
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