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American Mineralogist Crystal Structure Database

1 matching records for this search.

Vasilyevite
  
Cooper M A, Hawthorne F C
Download cm/vol41/CM41_1173.pdf 
The Canadian Mineralogist 41 (2003) 1173-1181
The crystal structure of vasilyevite, (Hg2)10O6I3(Br,Cl)3(CO3)
_database_code_amcsd 0005883
9.344 10.653 18.265 93.262 90.548 115.422 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)
Hg(1)   .4508  .3267 .4759     .027   .027   .022   .024   .005  -.004  -.008
Hg(2)   .2648  .1059 .4020     .028   .027   .022   .024   .001  -.004  -.007
Hg(3)   .5351  .2824 .7804     .025   .029   .020   .022   .007   .004  -.000
Hg(4)   .5985  .4122 .6605     .028   .033   .033   .015   .012   .002  -.003
Hg(5)   .8273 -.1104 .9045     .023   .025   .021   .018   .005  -.001  -.002
Hg(6)   .1287  .0098 .2213     .026   .026   .034   .015   .009   .002   .006
Hg(7)   .9750  .2052 .9605     .025   .019   .026   .030   .011   .000  -.002
Hg(8)   .7029  .1959 .9281     .026   .016   .028   .033   .010   .001   .002
Hg(9)   .2223  .0437 .9077     .026   .026   .023   .026   .009   .000  -.008
Hg(10)  .2081 -.1672 .8309     .030   .029   .028   .030   .010   .003  -.011
Hg(11)  .8386  .2521 .6604     .026   .020   .018   .037   .004   .001  -.004
Hg(12)  .0431  .4739 .7262     .035   .024   .028   .044   .004  -.008  -.007
Hg(13)  .6969  .1718 .4778     .031   .035   .031   .025   .013  -.000   .001
Hg(14)  .6993  .2321 .3448     .030   .034   .031   .023   .011   .000  -.000
Hg(15)  .5510  .3552 .2057     .032   .023   .035   .040   .013  -.003   .002
Hg(16)  .6970  .6043 .8167     .041   .032   .029   .060   .014  -.015  -.013
Hg(17) -.1367 -.0950 .3689     .029   .016   .035   .034   .009   .001  -.003
Hg(18)  .4120  .1058 .6110     .032   .024   .032   .039   .011   .003  -.003
Hg(19)  .4805  .3880 .9638     .028   .034   .022   .027   .011   .003  -.006
Hg(20)  .8710  .5119 .5151     .028   .018   .034   .032   .011   .005  -.002
CO3      .549   .997  .745 .85 .004
S        .549   .997  .745 .15 .004
O(1)     .916   .062  .670     .009
O(2)    -.194  -.193  .015     .009
O(3)     .506   .236  .892     .009
O(4)     .620   .096  .590     .009
O(5)     .618   .450  .550     .009
O(6)     .752   .311  .241     .009
O(7)     .326  -.107  .219 .85 .004
O(8)     .427   .009  .742 .85 .004
O(9)     .430   .102  .272 .85 .004
I(1)     .078  .2800 .3117     .034
I(2)     .085  .4491 .1046     .034
I(3)     .195  .3017 .8173     .040
BrX(1)   .483   .838 .9311 .73 .025
ClX(1)   .483   .838 .9311 .27 .025
BrX(2)   .315   .469 .6301 .69 .035
ClX(2)   .315   .469 .6301 .31 .035
BrX(3)   .003   .175  .505 .22 .026
ClX(3)   .003   .175  .505 .78 .026


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