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Nalivkinite |
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Uvarova Y A, Sokolova E, Hawthorne F C, Agakhanov A A, Pautov L A |
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The Canadian Mineralogist 46 (2008) 651-659 |
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The crystal structure of nalivkinite, a new lithium member of the astrophyllite group |
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Locality: Tien-Shan Mountains, northern Tajikistan |
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_database_code_amcsd 0006189 |
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5.3745 11.9299 11.6509 113.325 94.524 103.080 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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FeM1 .8490 .2053 .4796 .855 .0081 .0078 .0065 .0125 .0029 .0032 .0058 |
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CaM1 .8490 .2053 .4796 .035 .0081 .0078 .0065 .0125 .0029 .0032 .0058 |
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PbM1 .8490 .2053 .4796 .010 .0081 .0078 .0065 .0125 .0029 .0032 .0058 |
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FeM2 .2804 .06734 .4895 .0075 .0066 .0065 .0127 .0028 .0035 .0068 |
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FeM3 .4225 .35177 .4848 .550 .0076 .0072 .0055 .0135 .0035 .0038 .0061 |
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MnM3 .4225 .35177 .4848 .450 .0076 .0072 .0055 .0135 .0035 .0038 .0061 |
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FeM4 0 .5 .5 .830 .0073 .0059 .0047 .0131 .0023 .0024 .0052 |
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SnM4 0 .5 .5 .090 .0073 .0059 .0047 .0131 .0023 .0024 .0052 |
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MgM4 0 .5 .5 .040 .0073 .0059 .0047 .0131 .0023 .0024 .0052 |
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ZnM4 0 .5 .5 .040 .0073 .0059 .0047 .0131 .0023 .0024 .0052 |
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TiD .0781 .0856 .1976 .780 .0105 .0066 .0087 .0191 .0043 .0038 .0074 |
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NbD .0781 .0856 .1976 .120 .0105 .0066 .0087 .0191 .0043 .0038 .0074 |
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ZrD .0781 .0856 .1976 .080 .0105 .0066 .0087 .0191 .0043 .0038 .0074 |
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TaD .0781 .0856 .1976 .020 .0105 .0066 .0087 .0191 .0043 .0038 .0074 |
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SiT1 .6767 .2703 .2308 .981 .0077 .0059 .0104 .0121 .0037 .0035 .0091 |
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AlT1 .6767 .2703 .2308 .019 .0077 .0059 .0104 .0121 .0037 .0035 .0091 |
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SiT2 .8144 .5467 .2564 .981 .0081 .0081 .0060 .0127 .0024 .0021 .0061 |
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AlT2 .8144 .5467 .2564 .019 .0081 .0081 .0060 .0127 .0024 .0021 .0061 |
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SiT3 .3802 .6767 .2584 .981 .0059 .0061 .0041 .0094 .0019 .0017 .0046 |
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AlT3 .3802 .6767 .2584 .019 .0059 .0061 .0041 .0094 .0019 .0017 .0046 |
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SiT4 .5049 .9309 .2347 .981 .0074 .0078 .0060 .0113 .0029 .0019 .0061 |
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AlT4 .5049 .9309 .2347 .019 .0074 .0078 .0060 .0113 .0029 .0019 .0061 |
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KA1a .1464 .2860 .9977 .375 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
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LiA1a .1464 .2860 .9977 .070 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
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CsA1a .1464 .2860 .9977 .045 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
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NaA1a .1464 .2860 .9977 .010 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
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LiA1b .087 .177 -.000 .500 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
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NaB .5 0 0 .780 .0074 .0119 .0082 .0037 .0041 .0013 .0036 |
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CaB .5 0 0 .220 .0074 .0119 .0082 .0037 .0041 .0013 .0036 |
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O1 .7252 .3158 .3840 .0074 .0092 .0092 .0067 .0037 .0020 .0058 |
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O2 .1462 .1600 .3723 .0076 .0105 .0063 .0053 .0029 .0008 .0015 |
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O3 .1261 .3895 .5902 .0073 .0049 .0046 .0136 .0013 .0016 .0049 |
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O4 .2998 .4626 .4003 .0093 .0125 .0065 .0121 .0048 .0029 .0059 |
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O5 .9913 .1171 .5917 .0093 .0096 .0085 .0137 .0044 .0050 .0071 |
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O6 .5571 .2554 .5872 .0070 .0064 .0090 .0100 .0035 .0029 .0076 |
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O7 .5730 .0162 .3885 .0080 .0090 .0060 .0115 .0030 .0019 .0057 |
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O8 .0749 .5898 .2025 .0159 .0132 .0177 .0149 .0010 .0043 .0067 |
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O9 .2491 .0421 .8303 .0226 .0183 .0219 .0184 -.0048 .0080 .0041 |
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O10 .4273 .4131 .7972 .0147 .0169 .0173 .0126 .0107 .0029 .0059 |
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O11 .1266 .8075 .8317 .0230 .0297 .0312 .0206 .0243 .0105 .0140 |
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O12 .2610 .9557 .1696 .0221 .0286 .0204 .0167 .0191 -.0029 .0021 |
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O13 .2706 .6062 .8033 .0180 .0278 .0099 .0186 .0048 .0042 .0086 |
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O14 .5742 .2211 .8002 .0188 .0312 .0105 .0176 .0050 .0041 .0093 |
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O15 .3820 .1889 .1664 .0206 .0135 .0305 .0123 -.0081 -.0028 .0123 |
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F 0 0 0 .0174 .0177 .0149 .0211 .0052 .0022 .0091 |
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H1 .21 .416 .309 .0112 |
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H2 .05 .167 .686 .0112 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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