American Mineralogist Crystal Structure Database

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Schwartzembergite
Download hom/schwartzembergite.pdf
Welch M D, Hawthorne F C, Cooper M A, Kyser T K
Download cm/vol39/CM39_785.pdf
The Canadian Mineralogist 39 (2001) 785-795
Trivalent iodine in the crystal structure of schwartzembergite, Pb5IO6H2Cl3
_database_code_amcsd 0005721
3.977 3.977 12.566 90 90 90 I4/mmm
atom  x y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb    0 0 .1421 .833  .0024  .0024  .0022      0      0      0
I     0 0  .185 .167  .0011  .0011  .0031      0      0      0
Cl    0 0    .5       .0024  .0024  .0040      0      0      0
O    .5 0   .25       .0031  .0031  .0032      0      0      0
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