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Hydroxylherderite |
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Gatta G D, Jacobsen S D, Vignola P, McIntyre G J, Guastella G, Abate L F |
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Mineralogical Magazine 78 (2014) 723-737 |
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Single-crystal neutron diffraction and Raman spectroscopic study of |
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hydroxylherderite, CaBePO4(OH,F) |
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Locality: Bennett pegmatite, Buckfield, Oxford County, Maine, USA |
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_database_code_amcsd 0020485 |
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9.7856 7.6607 4.8025 90 90.02 90 P2_1/a |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .33105 .11140 .99740 .0088 .0084 .0089 .0091 -.0009 .0014 -.0014 |
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Na1 .33105 .11140 .99740 .01 .0088 .0084 .0089 .0091 -.0009 .0014 -.0014 |
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Be1 .33893 .41390 .53513 .98 .00790 .0075 .0076 .0086 -.0001 .0011 .0000 |
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Li1 .33893 .41390 .53513 .01 .00790 .0075 .0076 .0086 -.0001 .0011 .0000 |
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P1 .08136 .27109 .47045 .98 .00606 .0053 .0059 .0069 -.0001 .0009 .0000 |
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Si1 .08136 .27109 .47045 .03 .00606 .0053 .0059 .0069 -.0001 .0009 .0000 |
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O1 .03960 .39878 .24679 .00935 .0094 .0084 .0102 .0005 .0003 .0024 |
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O2 .45868 .28353 .65239 .00862 .0072 .0091 .0096 .0022 .0025 .0011 |
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O3 .19329 .34467 .66626 .00902 .0069 .0114 .0088 -.0023 .0006 -.0009 |
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O4 .14216 .10671 .32955 .00935 .0109 .0065 .0107 .0016 .0033 -.0001 |
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O5 .33381 .41306 .20330 .835 .0103 .0104 .0120 .0083 .0006 .0002 .0003 |
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F1 .33381 .41306 .20330 .165 .0103 .0104 .0120 .0083 .0006 .0002 .0003 |
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H1 .41950 .45665 .13028 .835 .0286 .0196 .0374 .0288 -.0073 .0078 .0041 |
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| 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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