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Dumortierite |
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Groat L A, Evans R J, Grew E S, Pieczka A |
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The Canadian Mineralogist 50 (2012) 855-872 |
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The crystal chemistry of As- and Sb-bearing dumortierite |
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Sample: D67 |
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Locality: the Larsemann Hills, Prydz Bay, Princess Elizabeth Land, East Antarctica |
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_database_code_amcsd 0019562 |
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4.6995 11.7790 20.1671 90 90 90 Pnma |
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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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AlA .348 .75 .24931 .30 .00642 |
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Al1 .413 .75 .25011 .42 .00642 |
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AlB .465 .75 .2507 .12 .00642 |
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Al2 .55801 .61028 .472362 .9926 .00453 .00453 .00417 .00487 -.00018 -.00027 -.00015 |
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Al3 .05978 .49104 .430841 .9900 .00445 .00417 .00471 .00447 .00005 -.00011 -.00012 |
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Al4 .05696 .35809 .288563 .9924 .00589 .00629 .00564 .00574 -.00009 -.00049 .00120 |
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Si1 .08747 .75 .404975 .00563 .00451 .00412 .00825 0 -.00026 0 |
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Si2 .58740 .52501 .327921 .00561 .00504 .00663 .00515 .00005 .00006 -.00083 |
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B .2254 .25 .41616 .0056 .0053 .0059 .0057 0 -.0001 0 |
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O1 .37688 .75 .45354 .00582 .0051 .0042 .0082 0 -.0013 0 |
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O2 .1477 .75 .32501 .01066 .0111 .0129 .0080 0 .0015 0 |
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O3 .89586 .63937 .42397 .00550 .0047 .0044 .0074 -.0003 .0003 -.0002 |
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O4 .39912 .43669 .28250 .00579 .0051 .0067 .0056 .0000 .0002 -.0009 |
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O5 .39527 .55070 .39328 .00553 .0052 .0064 .0050 -.0008 .00001 -.0009 |
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O6 .88086 .45479 .34985 .00631 .0057 .0075 .0057 .0009 -.0005 -.0016 |
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O7 .64639 .64080 .28635 .01080 .0122 .0085 .0117 -.0012 .0011 .0020 |
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O8 .1605 .25 .35081 .00717 .0128 .0044 .0044 0 -.0024 0 |
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O9 .25519 .35121 .44821 .00622 .0083 .0044 .0059 .0006 -.0018 -.0007 |
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O10 .76073 .25 .27190 .00696 .0059 .0057 .0093 0 -.0006 0 |
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O11 .75038 .46621 .48795 .00459 .0044 .0044 .0050 -.0001 -.0001 -.0001 |
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