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American Mineralogist Crystal Structure Database

1 matching records for this search.

Paulkellerite
Download hom/paulkellerite.pdf 
Grice J D, Groat L A
Download am/vol73/AM73_873.pdf 
American Mineralogist 73 (1988) 873-875
Crystal structure of paulkellerite
_database_code_amcsd 0001191
11.380 6.660 9.653 90 115.34 90 C2/c
atom      x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi   .23390 .03767 .08772  .0109  .0070  .0118  .0002  .0035 -.0002
Fe       .5      0     .5  .0095   .007  .0115 -.0006  .0036 -.0010
P         0  .1719    .25   .011   .004   .012      0   .005      0
O1    .1046  .0416  .2386   .026   .009   .017   .001   .015   .003
O2    .4346  .1929  .6078   .011   .009   .017   .000   .003  -.005
O3    .3512  .1726  .9820   .017   .011   .013   .004   .008   .005
OH    .3806  .1410  .3015   .012   .013   .016  -.004   .000   .000


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