American Mineralogist Crystal Structure Database

2 matching records for this search.

Fluorphosphohedyphane
 
Kampf A R, Housley R M
 
American Mineralogist 96 (2011) 423-429
Fluorphosphohedyphane, Ca2Pb3(PO4)3F, the first apatite supergroup mineral
with essential Pb and F
Locality: Blue Bell claims, near Baker, San Bernardino County, California, USA
_database_code_amcsd 0018322
9.6402 9.6402 7.0121 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 .0046      .0085  .0093  .0093  .0068  .0047      0      0
Pb2  .23960 .00873   .25 .882 .0118  .0099  .0094  .0149  .0038      0      0
Ca2  .23960 .00873   .25 .118 .0118  .0099  .0094  .0149  .0038      0      0
P     .4183  .3880   .25      .0099  .0101  .0076  .0120  .0043      0      0
O1    .3592  .5078   .25       .016   .020   .014   .016   .011      0      0
O2    .6047  .4731   .25       .016   .011   .016   .024   .007      0      0
O3    .3610  .2780 .0733      .0188   .029   .016   .017   .014  -.007  -.005
F         0      0    .5       .057   .048   .048   .076   .024      0      0
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Fluorphosphohedyphane
 
Miyake M, Ishigaki K, Suzuki T
 
Journal of Solid State Chemistry 61 (1986) 230-235
Structure refinements of Pb2+ ion-exchanged apatites by X-ray powder pattern-fitting
Note: Sample FAp
Locality: synthetic
Note: apatite group
_database_code_amcsd 0013569
9.759 9.759 7.291 90 90 120 P6_3/m
atom    x    y    z occ Biso
Pb1   1/3  2/3 .009 .60  2.4
Ca1   1/3  2/3 .009 .40  2.4
Pb2  .250 .000  .25 .52  2.1
Ca2  .250 .000  .25 .48  2.1
P    .402 .374  .25       .8
O1   .313 .477  .25      2.6
O2   .583 .480  .25      1.4
O3   .351 .271 .066      2.5
F       0    0  .25      3.5
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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