American Mineralogist Crystal Structure Database

1 matching records for this search.

Phosphohedyphane
 
Kampf A R, Steele I M, Jenkins R A
 
American Mineralogist 91 (2006) 1909-1917
Phosphohedyphane, Ca2Pb3(PO4)3Cl, the phosphate analogue of hedyphane:
Description and crystal structure
Locality: Capitana mine, Copiapo, Atacama Province, Chile
_database_code_amcsd 0004255
9.857 9.857 7.130 90 90 120 P6_3/m
atom     x     y     z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1    1/3   2/3 .0068 .919 .014   .014   .014   .015   .007      0      0
Pb1    1/3   2/3 .0068 .081 .014   .014   .014   .015   .007      0      0
Pb2  .2574 .0083   .25      .015   .010   .013   .020   .005      0      0
P    .4192 .3868   .25 .907 .010   .008   .007   .014   .004      0      0
As   .4192 .3868   .25 .093 .010   .008   .007   .014   .004      0      0
O1   .3677 .5099   .25      .016   .015   .012   .025   .010      0      0
O2   .6029 .4681   .25      .017   .005   .007   .038   .002      0      0
O3   .3640 .2801 .0761      .026   .037   .025   .025   .022  -.020  -.013
Cl       0     0     0      .017   .015   .015   .019   .008      0      0
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