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American Mineralogist Crystal Structure Database

1 matching records for this search.

Tiptopite
Download hom/tiptopite.pdf 
Peacor D R, Rouse R C, Ahn J-H
Download am/vol72/AM72_816.pdf 
American Mineralogist 72 (1987) 816-820
Crystal structure of tiptopite, a framework beryllophosphate isotypic with basic
cancrinite
Note: U(1,2) for OH5 has been altered to match symmetry constraints.
_database_code_amcsd 0001111
11.655 11.655 4.692 90 90 120 P6_3
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P    .0851 .4167   .75            .009   .011   .007   .006   .007   .006
Be    .338  .418  .746            .007   .012   .009   .003  -.003  -.017
O1   .1902 .3843 .6518            .016   .012   .017   .006   .003   .001
O2   .1378 .5647 .7027            .015   .011   .009   .005  -.004  -.008
O3   .0547 .3801 .0688            .018   .022   .008   .009   .006   .000
O4   .3302 .3741 .0862            .013   .016   .009   .010  -.002  -.004
K1     1/3   2/3  .253            .044   .044   .019   .022      0      0
Li2  .2207 .1137 .7486 .48        .051   .036   .036   .026   .003  -.010
Na2  .2207 .1137 .7486 .28        .051   .036   .036   .026   .003  -.010
Ca2  .2207 .1137 .7486 .12        .051   .036   .036   .026   .003  -.010
OH5      0     0  .253            .009   .009   .090  .0045      0      0
OH6   .064  .130  .378 .25  .02
OH7   .066  .130  .097 .25  .02
OH8   .168  .322  .236 .17  .02


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