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American Mineralogist Crystal Structure Database

1 matching records for this search.

Seeligerite
Download hom/seeligerite.pdf 
Bindi L, Welch M D, Bonazzi P, Pratesi G, Menchetti S
Mineralogical Magazine 71 (2008) 771-783
The crystal structure of seeligerite, Pb3IO4Cl3, a rare Pb-I-oxychloride from
the San Rafael mine, Sierra Gorda, Chile
Locality: San Rafael mine, Sierra Gorda, Chile
_database_code_amcsd 0014582
7.971 7.976 27.341 90 90 90 Cmm2
atom     x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1      0      0 .00120 .0391  .0391  .0390  .0392      0      0      0
Pb2      0      0 .32526 .0284  .0280  .0280  .0291      0      0      0
Pb3      0     .5 .32043 .0328  .0328  .0327  .0328      0      0      0
Pb4      0      0 .65541 .0304  .0295  .0297  .0321      0      0      0
Pb5      0     .5 .65998 .0335  .0329  .0328  .0350      0      0      0
Pb6      0     .5 .93079 .0366  .0361  .0360  .0378      0      0      0
Pb7    .25    .25 .15868 .0288  .0278  .0277  .0309  .0002      0      0
Pb8    .25    .25 .82289 .0307  .0307  .0306  .0308  .0001      0      0
Pb9    .25    .25 .56002 .0614  .0605  .0605  .0632 -.0002      0      0
I1       0      0 .90611 .0358   .034   .034   .039      0      0      0
I2     .25    .25 .42342 .0195  .0197  .0197  .0190 -.0001      0      0
I3       0     .5 .07382 .0116  .0121  .0120  .0108      0      0      0
O1       0  .7097  .1081  .034   .033   .031   .039      0      0   .002
O2   .2101     .5  .1079  .034   .032   .033   .039      0   .003      0
O3   .2313      0  .8840  .023   .026   .029   .014      0  -.004      0
O4       0 -.2311  .8840  .023   .029   .025   .014      0      0   .004
O5   .2489      0  .6097  .084    .07    .09    .09      0    .01      0
O6       0  .2490  .6085  .085    .08    .07    .10      0      0   -.01
O7   .2493     .5  .4212  .037   .036   .041   .033      0  -.002      0
O8       0  .2507  .4211  .037   .040   .036   .034      0      0   .003
Cl1      0      0  .1987 .0180   .022   .022   .009      0      0      0
Cl2    .25    .25  .7026  .037   .037   .038   .036   .001      0      0
Cl3      0     .5  .7964  .041   .047   .046   .030      0      0      0
Cl4      0      0  .7852  .036   .034   .034   .040      0      0      0
Cl5    .25    .25  .2981  .036   .035   .035   .039  -.001      0      0
Cl6      0      0  .5108  .066   .072   .071   .056      0      0      0
Cl7    .25    .25 -.0179 .0466   .051   .051   .037  -.003      0      0
Cl8      0     .5  .2088 .0139   .015   .015   .012      0      0      0
Cl9      0     .5  .4921  .029   .028   .029   .031      0      0      0


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