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Hydroxylherderite |
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Lager G A, Gibbs G V |
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American Mineralogist 59 (1974) 919-925 |
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A refinement of the crystal structure of herderite, CaBePO4OH |
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_database_code_amcsd 0000413 |
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9.789 7.661 4.804 90 90.02 90 P2_1/a |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3309 .1116 .9974 0.0010 0.0019 0.0054 -.0000 .0004 -.0007 |
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P .0815 .2710 .4708 0.0005 0.0009 0.0035 -.0000 .0002 .0003 |
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Be .3398 .4141 .5370 0.0016 0.0013 0.0051 -.0000 -.0003 .0006 |
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O1 .0396 .3988 .2466 0.0013 0.0026 0.0070 .0000 -.0003 .0013 |
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O2 .4585 .2835 .6521 0.0007 0.0025 0.0067 .0003 .0011 .0010 |
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O3 .1935 .3445 .6669 0.0008 0.0033 0.0054 -.0008 -.0002 -.0005 |
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O4 .1428 .1059 .3305 0.0017 0.0016 0.0077 .0004 .0018 -.0000 |
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OH .3332 .4123 .2039 0.0012 0.0031 0.0041 .0003 -.0003 .0002 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Hydroxylherderite |
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Harlow G E, Hawthorne F C |
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American Mineralogist 93 (2008) 1545-1549 |
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Herderite from Mogok, Myanmar, and comparison with hydroxyl-herderite from |
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Ehrenfriedersdorf, Germany |
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Locality: Sauberg mine, Morgenrother Zug, Ehrenfriedersdorf, Germany |
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Note: 20517 |
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Note: Occupancies derived from electron-microprobe analysis |
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_database_code_amcsd 0004661 |
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9.7615 7.6680 4.7853 90 90.184 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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Ca .33054 .11215 .99672 .00938 .00899 .00969 .00946 -.00064 .00065 -.00093 |
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Be .33905 .4143 .5364 .0090 .0078 .0099 .0093 .0003 .0002 .0009 |
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P .08141 .27112 .47175 .00671 .00598 .00669 .00747 -.00018 .00013 .00001 |
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O1 .03997 .39849 .2455 .00957 .0094 .0089 .0104 .0006 -.0007 .0024 |
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O2 .45738 .28281 .65139 .00917 .0071 .0104 .0101 .0020 .0017 .0015 |
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O3 .19302 .34533 .67079 .00936 .0065 .0120 .0096 -.0022 .0006 -.0010 |
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O4 .14412 .10715 .3332 .00978 .0113 .0069 .0112 .0011 .0030 -.0003 |
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FO5 .33181 .41132 .20637 .48 .0119 .0125 .0138 .0094 .0012 -.0013 -.0007 |
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OHO5 .33181 .41132 .20637 .52 .0119 .0125 .0138 .0094 .0012 -.0013 -.0007 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Hydroxylherderite |
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Long Y |
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Journal of Solid State Chemistry 101 (1992) 199-201 |
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The synthesis and structure of a beryllophosphate crystal with an open framework |
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Locality: synthetic |
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_database_code_amcsd 0013756 |
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9.784 7.659 4.808 90 90.05 90 P2_1/a |
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atom x y z Biso |
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Ca .3309 .1116 .9974 .43 |
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Be .3398 .4140 .5371 .42 |
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P .0815 .2710 .4708 .22 |
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O1 .0396 .3988 .2466 .59 |
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O2 .4585 .2835 .6521 .51 |
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O3 .1935 .3445 .6669 .53 |
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O4 .1428 .1059 .3305 .62 |
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OH .3332 .4123 .2039 .61 |
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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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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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