American Mineralogist Crystal Structure Database

1 matching records for this search.

Anorthominasragrite
 
Cooper M A, Hawthorne F C, Grice J D, Haynes P
Download cm/vol41/CM41_959.pdf
The Canadian Mineralogist 41 (2003) 959-979
Anorthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple Mountain,
Emery County, Utah, U.S.A.: Description, crystal structure and hydrogen bonding
Locality: Temple Mountain, Emery County, Utah, USA
_database_code_amcsd 0005878
7.533 7.792 7.818 78.96 71.86 65.41 P-1
atom        x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
V(1)   .12488 .70127 .81162     .0139  .0146  .0130  .0131 -.0058 -.0019  .0001
S(1)   -.0759  .4323  .7700     .0144  .0184  .0151  .0119 -.0088 -.0044  .0007
O(1)   -.0080  .2446  .7111      .021   .030   .018   .021  -.013  -.009  -.002
O(2)   -.1980  .4410  .9629      .017   .017   .024   .010  -.010  -.000   .001
O(3)   -.2048  .5789  .6653      .022   .027   .023   .014  -.010  -.009   .005
O(4)    .1068  .4700  .7551      .021   .024   .019   .018  -.009  -.000  -.007
O(5)   -.1087  .8167  .8944      .025   .019   .028   .027  -.008  -.005  -.007
OW(1)   .2351  .8909  .8350      .023   .030   .020   .024  -.015  -.007  -.003
OW(2)   .1474  .8043  .5510      .024   .035   .030   .017  -.019  -.014   .004
OW(3)   .4535  .5275  .6937      .020   .013   .020   .025  -.005  -.006  -.000
Wat(4) -.3629  .9818  .6052      .032   .029   .030   .035  -.017  -.005   .007
Wat(5)  .5236  .1867  .9212      .037   .031   .025   .048  -.005  -.007  -.003
H(1)     .325   .883   .906       .05
H(2)     .163   .027   .814       .05
H(3)     .113   .774   .453       .05
H(4)     .214   .893   .496       .05
H(5)     .563   .568   .685       .05
H(6)     .495   .407   .766  .6   .05
H(7)     .460   .528   .567  .4   .05
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