American Mineralogist Crystal Structure Database

1 matching records for this search.

DUO2AsO4*4D2O
 
Fitch A N, Bernard L, Howe A T, Wright A F, Fender B E F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-2701&volume=39&spage=159
Acta Crystallographica C39 (1983) 159-162
The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction
Locality: synthetic
_database_code_amcsd 0009970
7.1615 7.1615 17.6390 90 90 90 *P4/ncc
.25 -.25 0
atom     x      y      z occ  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
D3   .4057 -.4057    .25     .030709 .030709 .008035  .008774 -.007520 -.007520
U      .25    .25  .0527     .003022 .003022 .000804        0        0        0
O1     .25    .25  .1545     .009067 .009067 .001141        0        0        0
O2     .25    .25 -.0482     .009944 .009944 .000964        0        0        0
As     .75    .25      0     .001706 .001706 .001366        0        0        0
O3   .5681  .2048  .0573     .002730 .007214 .001663 -.000097  .000811  .000930
D1   .3037  .0404  .3112 .75 .074580 .037046 .002169  .025835  .001781  .001781
D2   .5757  .1283  .3556     .027785 .016573 .002411  .005849 -.000396  .000396
O4   .1476  .9977  .3095     .026322 .047770 .002089 -.014136  .001583  .004552
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