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Megakalsilite |
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Khomyakov A P, Nechelyustov G N, Sokolova E V, Bonaccorsi E, Merlino S, Pasero M |
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The Canadian Mineralogist 40 (2002) 961-970 |
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Megakalsilite, a new polymorph of KAlSiO4 from the Khibina alkaline massif, |
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Kola Peninsula, Russia: mineral description and crystal structure |
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Locality: Khibina alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0005778 |
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18.1111 18.1111 8.4619 90 90 120 P6_3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si(1) .8321 .8406 .1939 .0110 .0108 .0099 .0119 .0049 -.0006 .0007 |
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Si(2) .6655 .6652 .7939 .0106 .0106 .0104 .0109 .0052 -.0007 .0004 |
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Si(3) .6578 .4940 .1784 .0111 .0110 .0102 .0120 .0052 .0010 -.0004 |
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Si(4) .5039 .6775 .1778 .0116 .0118 .0103 .0126 .0055 .0001 -.0016 |
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Al(1) .8303 .8381 .8114 .0108 .0106 .0106 .0112 .0052 .0001 .0017 |
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Al(2) .6683 .6682 .1834 .0110 .0115 .0108 .0107 .0055 -.0002 .0002 |
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Al(3) .6554 .4915 .7961 .0109 .0122 .0111 .0105 .0066 .0002 -.0001 |
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Al(4) .5014 .6761 .7962 .0110 .0102 .0104 .0120 .0050 .0009 .0006 |
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K(1) 0 0 .4862 .0201 .0206 .0206 .0192 .0103 0 0 |
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K(2) 2/3 1/3 .5052 .0208 .0204 .0204 .0218 .0102 0 0 |
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K(3) 1/3 2/3 .5048 .0217 .0209 .0209 .0233 .0105 0 0 |
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K(4) .4776 .0047 .4916 .0230 .0291 .0213 .0208 .0141 -.0007 .0021 |
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K(5) .6665 .8126 .4946 .0235 .0238 .0264 .0199 .0123 .0023 .0007 |
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K(6) .8049 .6675 .4956 .0233 .0229 .0229 .0240 .0113 .0039 .0072 |
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O(1) .8161 .8533 .0101 .0175 .0188 .0200 .0150 .0106 -.0011 -.0008 |
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O(2) .6699 .6650 .9824 .0198 .0278 .0201 .0121 .0125 -.0003 -.0015 |
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O(3) .6272 .4778 .9951 .0155 .0150 .0171 .0143 .0078 -.0003 .0025 |
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O(4) .5164 .7065 .9940 .0171 .0203 .0159 .0135 .0079 .0003 -.0023 |
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O(5) .9308 .8671 .2178 .0172 .0130 .0167 .0221 .0074 -.0022 .0040 |
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O(6) .7365 .4676 .7714 .0163 .0131 .0167 .0204 .0083 .0062 .0036 |
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O(7) .8009 .3960 .2724 .0151 .0152 .0115 .0193 .0073 .0036 -.0006 |
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O(8) .9075 .8084 .7999 .0183 .0199 .0231 .0166 .0142 .0053 .0038 |
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O(9) .5250 .7663 .6852 .0178 .0187 .0188 .0202 .0127 .0072 .0065 |
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O(10) .4361 .5771 .1895 .0193 .0198 .0116 .0227 .0049 .0052 -.0011 |
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O(11) .7702 .7420 .2507 .0155 .0148 .0128 .0173 .0059 -.0043 .0002 |
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O(12) .8981 .5948 .7519 .0160 .0138 .0162 .0137 .0042 .0024 -.0028 |
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O(13) .9256 .3585 .2558 .0151 .0156 .0228 .0119 .0135 -.0029 -.0028 |
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O(14) .3587 .9297 .7338 .0161 .0190 .0122 .0188 .0092 .0040 .0026 |
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O(15) .5944 .9066 .2253 .0155 .0108 .0131 .0175 .0023 .0017 -.0039 |
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O(16) .7348 .7584 .7258 .0168 .0172 .0150 .0159 .0062 -.0024 -.0005 |
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View JMOL 3-D Structure (permalink) |
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