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Lemmleinite-Ba |
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Armbruster T, Krivovichev S V, Weber T, Gnos E, Organova N N, Yakovenchuk V N |
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American Mineralogist 89 (2004) 1655-1666 |
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Origin of diffuse superstructure reflections in labuntsovite-group minerals |
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Sample A2 at T = -160 deg C |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0003652 |
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14.2147 13.764 7.7574 90 116.653 90 C2/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ti1 .25 .25 .5 1.068 .0323 .0052 .0103 .0063 .0160 .0034 |
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Ti2 0 .22676 .5 1.083 .0107 .0044 .0124 0 -.0070 0 |
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Si1 .20835 .11018 .80434 .318 .0040 .0038 .0036 -.0001 .0011 .0001 |
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Si2 .32098 .11115 .25107 .346 .0051 .0040 .0042 -.0004 .0022 -.0003 |
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O1 .08243 .11596 .6755 .53 .0047 .0065 .0073 .0003 .0013 .0009 |
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O2 .10118 .22302 .3979 .5 .56 .0041 .0120 .0049 .0006 .0017 -.0001 |
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OH2 .10118 .22302 .3979 .5 .56 .0041 .0120 .0049 .0006 .0017 -.0001 |
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O3 .42044 .18104 .3019 .65 .0078 .0077 .0104 -.0035 .0053 -.0035 |
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O4 .26639 .12413 .3916 .52 .0080 .0073 .0060 .0011 .0045 .0004 |
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O5 .3662 0 .2712 .51 .0067 .0045 .0083 0 .0034 0 |
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O6 .23232 .12784 .0282 .59 .0090 .0088 .0034 .0010 .0018 .0000 |
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O7 .2476 0 .7867 .45 .0060 .0038 .0075 0 .0032 0 |
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O8 .27432 .18389 .7404 .46 .0057 .0060 .0054 -.0004 .0022 .0012 |
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Ba(C) .08723 0 .34250 .453 .453 .0056 .0066 .0047 0 .0021 0 |
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Wat(C) .1098 0 .349 .493 1.5 |
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Mn(D) 0 0 .5 .493 .51 .0055 .0034 .0073 0 .0002 0 |
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K(B) .42068 0 .70446 .854 1.22 .0106 .0269 .0085 0 .0041 0 |
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Na(B) .4294 .0509 .731 .076 .7 |
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Na(A) .4134 .2629 .0116 .473 1.32 .0119 .0113 .029 -.0011 .0108 -.0032 |
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Wat1 -.0254 .1129 -.0059 .5 1.67 .021 .033 .011 -.013 .009 -.004 |
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Wat2 .4732 .1469 .0095 .5 1.35 .013 .023 .016 -.0019 .0069 .000 |
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