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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 B at T = 22 deg C |
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Locality: Khibiny alkaline complex, Kola peninsula, Russia |
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_database_code_amcsd 0003654 |
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14.237 13.768 7.767 90 116.83 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 1.08 .0301 .0058 .0116 .0054 .0153 .0027 |
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Ti2 0 .22712 .5 1.113 .0115 .0046 .0137 0 -.0054 0 |
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Si1 .20816 .10996 .80316 .478 .0063 .0050 .0062 -.0003 .0022 .0005 |
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Si2 .31987 .11131 .24992 .509 .0075 .0052 .0069 -.0007 .0034 -.0007 |
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O1 .08209 .11590 .6736 .80 .0072 .0091 .0114 .0003 .0018 .0026 |
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O2 .10065 .22441 .3970 .5 .71 .0051 .0132 .0092 -.0003 .0036 -.0006 |
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OH2 .10065 .22441 .3970 .5 .71 .0051 .0132 .0092 -.0003 .0036 -.0006 |
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O3 .4199 .18084 .3030 .93 .0122 .0102 .0149 -.0049 .0077 -.0045 |
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O4 .2652 .12522 .3893 .79 .0126 .0084 .0113 .0006 .0074 -.0005 |
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O5 .3645 0 .2714 .83 .0109 .0057 .0156 0 .0065 0 |
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O6 .2326 .1282 1.0265 .90 .0125 .0132 .0072 .0011 .0033 -.0003 |
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O7 .2474 0 .7868 .81 .0108 .0051 .0166 0 .0078 0 |
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O8 .27370 .18328 .7385 .75 .0095 .0094 .0097 -.0011 .0045 .0024 |
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Ba(C) .08538 0 .3423 .380 1.05 .0128 .0138 .0137 0 .0063 0 |
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Wat(C) .1043 0 .347 .460 2.37 |
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Fe(D) 0 0 .5 .460 .91 .0095 .0049 .0130 0 -.0015 0 |
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K(B) .41995 0 .7027 .89 2.35 .0231 .047 .0185 0 .0088 0 |
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Na(B) .429 .042 .718 .07 .5 |
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Na(A) .4133 .2624 .0103 .485 2.05 .021 .021 .040 .0001 .0169 -.0027 |
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Wat1 -.0248 .1138 -.0061 2.47 .029 .043 .026 -.011 .016 -.005 |
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Wat2 .4733 .1465 .0102 1.92 .019 .031 .024 -.002 .011 -.002 |
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View JMOL 3-D Structure (permalink) |
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