American Mineralogist Crystal Structure Database

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Hydroxylherderite
Download hom/hydroxylherderite.pdf
Gatta G D, Jacobsen S D, Vignola P, McIntyre G J, Guastella G, Abate L F
 
Mineralogical Magazine 78 (2014) 723-737
Single-crystal neutron diffraction and Raman spectroscopic study of
hydroxylherderite, CaBePO4(OH,F)
Locality: Bennett pegmatite, Buckfield, Oxford County, Maine, USA
_database_code_amcsd 0020485
9.7856 7.6607 4.8025 90 90.02 90 P2_1/a
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  .33105 .11140 .99740       .0088  .0084  .0089  .0091 -.0009  .0014 -.0014
Na1  .33105 .11140 .99740  .01  .0088  .0084  .0089  .0091 -.0009  .0014 -.0014
Be1  .33893 .41390 .53513  .98 .00790  .0075  .0076  .0086 -.0001  .0011  .0000
Li1  .33893 .41390 .53513  .01 .00790  .0075  .0076  .0086 -.0001  .0011  .0000
P1   .08136 .27109 .47045  .98 .00606  .0053  .0059  .0069 -.0001  .0009  .0000
Si1  .08136 .27109 .47045  .03 .00606  .0053  .0059  .0069 -.0001  .0009  .0000
O1   .03960 .39878 .24679      .00935  .0094  .0084  .0102  .0005  .0003  .0024
O2   .45868 .28353 .65239      .00862  .0072  .0091  .0096  .0022  .0025  .0011
O3   .19329 .34467 .66626      .00902  .0069  .0114  .0088 -.0023  .0006 -.0009
O4   .14216 .10671 .32955      .00935  .0109  .0065  .0107  .0016  .0033 -.0001
O5   .33381 .41306 .20330 .835  .0103  .0104  .0120  .0083  .0006  .0002  .0003
F1   .33381 .41306 .20330 .165  .0103  .0104  .0120  .0083  .0006  .0002  .0003
H1   .41950 .45665 .13028 .835  .0286  .0196  .0374  .0288 -.0073  .0078  .0041
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