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Niobophyllite |
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Camara F, Sokolova E, Abdu Y, Hawthorne F C |
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The Canadian Mineralogist 48 (2010) 1-16 |
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The crystal structures of niobophyllite, kupletskite-(Cs) and Sn-rich |
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astrophyllite: Revisions to the crystal chemistry of the |
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astrophyllite-group minerals |
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Locality: Seal Lake, Labrador, Canada |
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_database_code_amcsd 0006309 |
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5.4022 11.8844 11.6717 112.990 94.588 103.166 P-1 |
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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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KA .1382 .2762 .99610 .90 .0562 .0845 .0497 .0269 .0121 .0062 .0132 |
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CsA .1382 .2762 .99610 .02 .0562 .0845 .0497 .0269 .0121 .0062 .0132 |
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NaB .5 0 0 .0234 .033 .021 .014 .0063 .0019 .0054 |
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MnM1 .85126 .20540 .47941 .5 .0095 .0076 .0102 .0117 .0025 .0028 .0054 |
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FeM1 .85126 .20540 .47941 .37 .0095 .0076 .0102 .0117 .0025 .0028 .0054 |
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MnM2 .27875 .06798 .48781 .25 .0099 .0091 .0111 .0128 .0042 .0040 .0072 |
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FeM2 .27875 .06798 .48781 .73 .0099 .0091 .0111 .0128 .0042 .0040 .0072 |
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Fe2+M3 .42066 .35128 .48479 .67 .0104 .0086 .0101 .0144 .0039 .0042 .0060 |
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MnM3 .42066 .35128 .48479 .14 .0104 .0086 .0101 .0144 .0039 .0042 .0060 |
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Fe3+M3 .42066 .35128 .48479 .13 .0104 .0086 .0101 .0144 .0039 .0042 .0060 |
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Fe2+M4 0 .5 .5 .5 .0092 .0071 .0067 .0125 .0016 .0013 .0030 |
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Fe3+M4 0 .5 .5 .3 .0092 .0071 .0067 .0125 .0016 .0013 .0030 |
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MnM4 0 .5 .5 .2 .0092 .0071 .0067 .0125 .0016 .0013 .0030 |
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NbD .07425 .08160 .18633 .73 .00805 .0036 .0078 .0153 .00257 .00271 .0068 |
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TiD .07425 .08160 .18633 .27 .00805 .0036 .0078 .0153 .00257 .00271 .0068 |
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SiT1 .6786 .27391 .23318 .97 .0087 .0102 .0069 .0094 .0021 .0020 .0040 |
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AlT1 .6786 .27391 .23318 .03 .0087 .0102 .0069 .0094 .0021 .0020 .0040 |
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SiT2 .8148 .54744 .25427 .97 .0124 .0160 .0090 .0117 .0027 .0021 .0043 |
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AlT2 .8148 .54744 .25427 .03 .0124 .0160 .0090 .0117 .0027 .0021 .0043 |
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SiT3 .3796 .67519 .25707 .97 .0117 .0146 .0090 .0125 .0025 .0014 .0062 |
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AlT3 .3796 .67519 .25707 .03 .0117 .0146 .0090 .0125 .0025 .0014 .0062 |
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SiT4 .5066 .93104 .23737 .97 .0082 .0106 .0070 .0082 .0020 .0022 .0047 |
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AlT4 .5066 .93104 .23737 .03 .0082 .0106 .0070 .0082 .0020 .0022 .0047 |
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O1 .7254 .3194 .3853 .0097 .0088 .0098 .0091 .0029 .0026 .0024 |
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O2 .1462 .1597 .3687 .0130 .0130 .0148 .0108 .0046 .0029 .0046 |
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O3 .1275 .3912 .5935 .0115 .0116 .0097 .0117 .0017 .0025 .0038 |
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Oh4 .2995 .4639 .4027 .0136 .0140 .0158 .0126 .0071 .0049 .0057 |
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Oh5 .9912 .1169 .5916 .0135 .0150 .017 .0095 .0076 .0045 .0046 |
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O6 .5581 .2569 .5893 .0128 .0120 .0132 .0141 .0040 .0031 .0065 |
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O7 .5719 .0141 .3899 .0107 .0094 .0143 .0102 .0053 .0021 .0060 |
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O8 .0739 .5905 .2012 .0273 .023 .032 .016 -.006 .0033 .007 |
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O9 .2475 .0423 .8249 .050 .036 .052 .017 -.033 .012 -.007 |
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O10 .4275 .4137 .7999 .0272 .034 .031 .019 .021 .002 .006 |
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O11 .1276 .8053 .8289 .048 .089 .073 .012 .075 .019 .016 |
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O12 .2661 .9570 .1731 .049 .068 .057 .018 .057 -.014 -.005 |
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O13 .2675 .6063 .8062 .0269 .056 .0058 .015 .002 .003 .0046 |
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O14 .5742 .2219 .8023 .0287 .056 .011 .017 .003 .002 .0083 |
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O15 .3848 .1939 .1700 .0468 .030 .068 .015 -.034 -.007 .019 |
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OX 0 0 0 .73 .0112 .008 .013 .014 .004 .0036 .005 |
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OHX 0 0 0 .13 .0112 .008 .013 .014 .004 .0036 .005 |
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FX 0 0 0 .13 .0112 .008 .013 .014 .004 .0036 .005 |
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H1 .269 .422 .3098 .01627 |
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H2 1.021 .155 .6844 .01620 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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