American Mineralogist Crystal Structure Database

2 matching records for this search.

Hydroxyl-herderite
Download hom/hydroxylherderite.pdf
Lager G A, Gibbs G V
Download am/vol59/AM59_919.pdf
American Mineralogist 59 (1974) 919-925
A refinement of the crystal structure of herderite, CaBePO4OH
_database_code_amcsd 0000412
9.789 7.661 4.804 90 90.02 90 P2_1/a
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ca   .3309 .1116 .9974 0.0010 0.0019 0.0054 -.0000  .0004 -.0007
P    .0815 .2710 .4708 0.0005 0.0009 0.0035 -.0000  .0002  .0003
Be   .3398 .4141 .5370 0.0016 0.0013 0.0051 -.0000 -.0003  .0006
O1   .0396 .3988 .2466 0.0013 0.0026 0.0070  .0000 -.0003  .0013
O2   .4585 .2835 .6521 0.0007 0.0025 0.0067  .0003  .0011  .0010
O3   .1935 .3445 .6669 0.0008 0.0033 0.0054 -.0008 -.0002 -.0005
O4   .1428 .1059 .3305 0.0017 0.0016 0.0077  .0004  .0018 -.0000
OH   .3332 .4123 .2039 0.0012 0.0031 0.0041  .0003 -.0003  .0002
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Hydroxyl-herderite
Download hom/hydroxylherderite.pdf
Long Y
 
Journal of Solid State Chemistry 101 (1992) 199-201
The synthesis and structure of a beryllophosphate crystal with an open framework
Locality: synthetic
_database_code_amcsd 0013755
9.784 7.659 4.808 90 90.05 90 P2_1/a
atom     x     y     z Biso
Ca   .3309 .1116 .9974  .43
Be   .3398 .4140 .5371  .42
P    .0815 .2710 .4708  .22
O1   .0396 .3988 .2466  .59
O2   .4585 .2835 .6521  .51
O3   .1935 .3445 .6669  .53
O4   .1428 .1059 .3305  .62
OH   .3332 .4123 .2039  .61
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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