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Sogdianite |
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Sokolova E V, Hawthorne F C, Pautov L A |
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The Canadian Mineralogist 38 (2000) 853-859 |
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The crystal chemistry of Li-bearing minerals with the milarite-type structure: |
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The crystal structure of end-member sogdianite |
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Locality: Dara-i-Pioz, Tadjikistan |
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_database_code_amcsd 0005692 |
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10.1240 10.1240 14.3198 90 90 120 P6/mcc |
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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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Zr 1/3 2/3 1/4 .0061 .0059 .0059 .0067 .0029 0 0 |
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K 0 0 1/4 .0217 .0207 .0207 .0236 .0104 0 0 |
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Si .11184 .35135 .10941 .0073 .0068 .0080 .0071 .0037 -.0005 -.0010 |
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Li 0 1/2 1/4 .0141 .0074 .0146 .0178 .0037 0 0 |
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O .1246 .3911 0 .0164 .0232 .0197 .0061 .0105 0 0 |
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O .2179 .2779 .13483 .0138 .0134 .0164 .0164 .0109 -.0005 -.0003 |
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O .1565 .4983 .17173 .0101 .0099 .0102 .0097 .0046 -.0012 -.0028 |
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Polyakovite-(Ce) |
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Popov V A, Pautov L A, Sokolova E V, Hawthorne F C, McCammon C A, Bazhenova L F |
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The Canadian Mineralogist 39 (2001) 1095-1104 |
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Polyakovite-(Ce), (REE,Ca)4(Mg,Fe)(Cr,Fe)2(Ti,Nb)2Si4O22, a new metamict |
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mineral species from the Ilmen Mountains, Southern Urals, Russia: Mineral |
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discription and crystal chemistry |
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Locality: Ilmen Mountains, Southern Urals, Russia |
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_database_code_amcsd 0005725 |
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13.398 5.6974 11.042 90 100.539 90 C2/m |
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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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CeA1 .35606 0 .73540 .46 .0152 .0122 .0194 .0139 0 .0020 0 |
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LaA1 .35606 0 .73540 .31 .0152 .0122 .0194 .0139 0 .0020 0 |
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NdA1 .35606 0 .73540 .09 .0152 .0122 .0194 .0139 0 .0020 0 |
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PrA1 .35606 0 .73540 .04 .0152 .0122 .0194 .0139 0 .0020 0 |
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YA1 .35606 0 .73540 .01 .0152 .0122 .0194 .0139 0 .0020 0 |
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CaA1 .35606 0 .73540 .06 .0152 .0122 .0194 .0139 0 .0020 0 |
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ThA1 .35606 0 .73540 .03 .0152 .0122 .0194 .0139 0 .0020 0 |
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CeA2 .07041 0 .74116 .46 .0199 .0122 .0338 .0136 0 .0018 0 |
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LaA2 .07041 0 .74116 .31 .0199 .0122 .0338 .0136 0 .0018 0 |
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NdA2 .07041 0 .74116 .09 .0199 .0122 .0338 .0136 0 .0018 0 |
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PrA2 .07041 0 .74116 .04 .0199 .0122 .0338 .0136 0 .0018 0 |
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YA1 .07041 0 .74116 .01 .0199 .0122 .0338 .0136 0 .0018 0 |
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CaA2 .07041 0 .74116 .06 .0199 .0122 .0338 .0136 0 .0018 0 |
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ThA2 .07041 0 .74116 .03 .0199 .0122 .0338 .0136 0 .0018 0 |
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Mg1 1/2 0 1/2 .80 .0169 .0200 .0143 .0161 0 .0022 0 |
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Fe1 1/2 0 1/2 .20 .0169 .0200 .0143 .0161 0 .0022 0 |
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Ti2 1/4 1/4 0 .76 .0093 .0113 .0101 .0061 .0002 .0003 .0002 |
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Nb2 1/4 1/4 0 .16 .0093 .0113 .0101 .0061 .0002 .0003 .0002 |
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Cr3 0 0 0 .64 .0120 .0135 .0156 .0067 0 .0017 0 |
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Fe3 0 0 0 .36 .0120 .0135 .0156 .0067 0 .0017 0 |
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Cr4 1/2 0 0 .64 .0133 .0150 .0169 .0071 0 -.0003 0 |
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Fe4 1/2 0 0 .36 .0133 .0150 .0169 .0071 0 -.0003 0 |
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Si(1) .2022 -1/2 .7327 .0105 .0180 .0076 .0054 0 .0009 0 |
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Si(2) .3582 -1/2 .5452 .0123 .0128 .0135 .0103 0 .0017 0 |
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O(1) .4785 .252 .8726 .0108 .0114 .0107 .0097 -.0005 .0004 .0005 |
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O(2) .1472 0 .9782 .0109 .0138 .0090 .0107 0 .0042 0 |
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O(3) .1888 0 .5982 .0146 .0193 .0189 .0046 0 -.0004 0 |
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O(4) .3495 0 .9887 .0090 .0076 .0084 .0094 0 -.0026 0 |
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O(5) .4283 .2689 .5915 .0254 .0340 .0247 .0159 .0120 .0003 .0021 |
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O(6) .2279 -.736 .8147 .0132 .0220 .0109 .0060 .0028 .0010 -.0003 |
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O(7) .0869 -1/2 .669 .0302 .0201 .0576 .0117 0 -.0005 0 |
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O(8) .2750 -1/2 .632 .0354 .0345 .0619 .0151 0 .0185 0 |
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Telyushenkoite |
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Sokolova E V, Huminicki D M C, Hawthorne F C, Agakhanov A A, Pautov L A, Grew E S |
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The Canadian Mineralogist 40 (2002) 183-192 |
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The crystal chemistry of telyushenkoite and leifite, A Na6[Be2Al3Si15O39F2], |
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A = Cs, Na |
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_database_code_amcsd 0005761 |
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14.3770 14.3770 4.8786 90 90 120 P-3m1 |
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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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SiT1 0 .21677 1/2 .61 .0129 .0137 .0143 .0105 .0068 -.0015 -.0007 |
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AlT1 0 .21677 1/2 .34 .0129 .0137 .0143 .0105 .0068 -.0015 -.0007 |
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ZnT1 0 .21677 1/2 .05 .0129 .0137 .0143 .0105 .0068 -.0015 -.0007 |
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SiT2 0 .34441 0 .0105 .0117 .0106 .0096 .0058 -.0004 -.0002 |
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SiT3 .44759 -.44759 .3068 .0078 .0092 .0092 .0074 .0063 -.0002 .0002 |
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BeT4 1/3 2/3 .367 .0083 .0082 .0082 .0086 .0041 0 0 |
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Na .75039 -.75039 .2029 .0212 .0213 .0213 .0161 .0072 .0033 -.0033 |
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CsA 0 0 0 .74 .0275 .0312 .0312 .0200 .0156 0 0 |
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RbA 0 0 0 .02 .0275 .0312 .0312 .0200 .0156 0 0 |
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KA 0 0 0 .14 .0275 .0312 .0312 .0200 .0156 0 0 |
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NaA 0 0 0 .10 .0275 .0312 .0312 .0200 .0156 0 0 |
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O1 .1009 -.1009 .3920 .0340 .0349 .0349 .0200 .0084 -.0067 .0067 |
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O2 .3081 .2612 .2473 .0193 .0229 .0160 .0187 .0097 .0089 .0075 |
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O3 .3597 .4585 .1047 .0127 .0144 .0112 .0135 .0072 -.0038 -.0030 |
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O4 1/2 0 1/2 .0145 .0186 .0082 .0132 .0041 -.0019 -.0038 |
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O5 .39440 -.39440 .4825 .0107 .0141 .0141 .0085 .0106 .0006 -.0006 |
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F 1/3 2/3 .0438 .0136 .0175 .0175 .0058 .0088 0 0 |
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Leifite |
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Sokolova E V, Huminicki D M C, Hawthorne F C, Agakhanov A A, Pautov L A, Grew E S |
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The Canadian Mineralogist 40 (2002) 183-192 |
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The crystal chemistry of telyushenkoite and leifite, A Na6[Be2Al3Si15O39F2], |
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A = Cs, Na |
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_database_code_amcsd 0005762 |
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14.3608 14.3608 4.8570 90 90 120 P-3m1 |
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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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SiT1 0 .21681 1/2 .64 .0137 .0141 .0145 .0123 .0070 -.0020 -.0010 |
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AlT1 0 .21681 1/2 .33 .0137 .0141 .0145 .0123 .0070 -.0020 -.0010 |
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ZnT1 0 .21681 1/2 .03 .0137 .0141 .0145 .0123 .0070 -.0020 -.0010 |
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SiT2 0 .34443 0 .0113 .0120 .0113 .0108 .0060 -.0003 -.0002 |
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SiT3 .44762 -.44762 .3059 .0075 .0093 .0093 .0062 .0062 -.0001 .0001 |
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BeT4 1/3 2/3 .366 .0091 .0091 .0091 .0092 .0045 0 0 |
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Na .75042 -.75042 .2033 .0214 .0212 .0212 .0165 .0066 .0030 -.0031 |
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CsA 0 0 0 .05 .0444 .0495 .0495 .0343 .0247 0 0 |
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RbA 0 0 0 .11 .0444 .0495 .0495 .0343 .0247 0 0 |
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KA 0 0 0 .10 .0444 .0495 .0495 .0343 .0247 0 0 |
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NaA 0 0 0 .57 .0444 .0495 .0495 .0343 .0247 0 0 |
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WatB 0 0 1/2 .63 .0297 .0119 .0119 .0653 .0060 0 0 |
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O1 .1008 -.1008 .3946 .0325 .0328 .0328 .0190 .0067 -.0063 .0063 |
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O2 .3078 .2614 .2486 .0178 .0201 .0156 .0181 .0094 .0080 .0068 |
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O3 .3595 .4585 .1035 .0124 .0138 .0111 .0132 .0069 -.0042 -.0033 |
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O4 1/2 0 1/2 .0133 .0165 .0092 .0116 .0046 -.0017 -.0034 |
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O5 .39431 -.39431 .4821 .0105 .0137 .0137 .0084 .0099 .0006 -.0005 |
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F 1/3 2/3 .0421 .0136 .0167 .0167 .0073 .0084 0 0 |
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Moskvinite-(Y) |
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Sokolova E V, Hawthorne F C, Agakhanov A A, Pautov L A |
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The Canadian Mineralogist 41 (2003) 513-520 |
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The crystal structure of moskvinite-(Y), Na2K(Y,REE)[Si6O15], a new silicate |
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mineral with [Si6O15] three-membered double-rings from the Dara-I-Pioz Moraine, |
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Tien-Shan mountains, Tajikistan |
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Locality: Dara-I-Pioz Moraine, Tien-Shan mountains, Tajikistan |
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_database_code_amcsd 0005835 |
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10.623 14.970 8.553 90 90 90 Ibmm |
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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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Na 1/2 .25636 0 .0178 .0168 .0167 .0197 0 .0051 0 |
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K .43056 0 1/4 .0254 .0234 .0373 .0154 0 0 0 |
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Y 1/4 1/4 1/4 .77 .00679 .00714 .00699 .00624 -.00077 0 0 |
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Dy 1/4 1/4 1/4 .09 .00679 .00714 .00699 .00624 -.00077 0 0 |
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Gd 1/4 1/4 1/4 .04 .00679 .00714 .00699 .00624 -.00077 0 0 |
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Er 1/4 1/4 1/4 .04 .00679 .00714 .00699 .00624 -.00077 0 0 |
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Ho 1/4 1/4 1/4 .02 .00679 .00714 .00699 .00624 -.00077 0 0 |
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Sm 1/4 1/4 1/4 .02 .00679 .00714 .00699 .00624 -.00077 0 0 |
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Nd 1/4 1/4 1/4 .01 .00679 .00714 .00699 .00624 -.00077 0 0 |
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Tb 1/4 1/4 1/4 .01 .00679 .00714 .00699 .00624 -.00077 0 0 |
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Si1 .53384 .40003 1/4 .00943 .0083 .0093 .0108 -.0013 0 0 |
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Si2 .22002 .39603 -.07776 .00934 .0100 .0091 .0089 .00008 .00047 .00111 |
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O1 .15917 .37118 -1/4 .0138 .0116 .0192 .0107 -.0025 0 0 |
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O2 .43311 .32256 1/4 .0129 .0109 .0123 .0154 -.0038 0 0 |
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O3 .37260 .38915 -.09771 .0129 .0101 .0173 .0114 .0000 .0003 .0011 |
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O4 .18101 1/2 -.0448 .0155 .0170 .0086 .0211 0 .0034 0 |
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O5 .16655 .33667 .05854 .0136 .0139 .0143 .0127 -.0012 -.0010 .0050 |
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O6 .4751 1/2 1/4 .0140 .0139 .0097 .0184 0 0 0 |
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Maleevite |
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Pautov L A, Agakhanov A A, Sokolova E V, Hawthorne F C |
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The Canadian Mineralogist 42 (2004) 107-119 |
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Maleevite, BaB2Si2O8, and pekovite, SrB2Si2O8, new mineral species from the |
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Dara-i-Pioz alkaline massif, Northern Tajikistan: Description and crystal structure |
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Locality: Dara-i-Pioz alkaline massif, Northern Tajikistan |
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_database_code_amcsd 0005928 |
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8.141 8.176 9.038 90 90 90 Pnma |
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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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BaA .38853 1/4 .08357 .01211 .01426 .01121 .01087 0 .00045 0 |
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BT1 .2711 .0855 .4117 .0074 .0086 .0073 .0064 -.0002 .0001 .0004 |
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SiT2 .07232 .93355 .18988 .00831 .0093 .0088 .0069 -.0002 -.0001 -.0000 |
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O1 .2181 .9538 .07000 .0123 .0134 .0167 .0068 -.0028 .0029 -.0005 |
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O2 .1458 .9685 .35401 .0110 .0132 .0119 .0077 -.0032 -.0020 -.0002 |
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O3 .4293 .0653 .3369 .0115 .0119 .0114 .0113 .0013 .0021 .0009 |
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O4 .4966 3/4 .3126 .0116 .0123 .0089 .0136 0 -.0008 0 |
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O5 .2083 1/4 .3807 .0101 .0096 .0083 .0126 0 -.0018 0 |
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Pekovite |
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Pautov L A, Agakhanov A A, Sokolova E V, Hawthorne F C |
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The Canadian Mineralogist 42 (2004) 107-119 |
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Maleevite, BaB2Si2O8, and pekovite, SrB2Si2O8, new mineral species from the |
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Dara-i-Pioz alkaline massif, Northern Tajikistan: Description and crystal structure |
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Locality: Dara-i-Pioz alkaline massif, Northern Tajikistan |
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_database_code_amcsd 0005929 |
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8.155 7.919 8.921 90 90 90 Pnma |
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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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SrA .38756 1/4 .07841 .00898 .0129 .0037 .0103 0 -.0005 0 |
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BT1 .2650 .0808 .4153 .0049 .0083 .0000 .0063 -.0007 .0007 -.0006 |
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SiT2 .06105 .94094 .19163 .0050 .0082 .0006 .0061 -.0002 -.0001 -.0002 |
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O1 .2002 .9833 .0688 .0085 .0137 .0047 .0071 -.0033 .0021 -.0018 |
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O2 .1344 .9637 .3597 .0071 .0114 .0044 .0055 -.0017 -.0012 -.0002 |
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O3 .4103 .0725 .3207 .0075 .0113 .0007 .0106 .0015 .0033 -.0005 |
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O4 .4924 3/4 .3277 .0077 .0127 .0001 .010 0 .0019 0 |
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O5 .1951 1/4 .4127 .0086 .0078 .0046 .013 0 .0026 0 |
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Zeravshanite |
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Uvarova Y A, Sokolova E V, Hawthorne F C, Pautov L A, Agakhanov A A |
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The Canadian Mineralogist 42 (2004) 125-134 |
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A novel (Si18O45)18- sheet in the crystal structure of zeravshanite, |
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Cs4Na2Zr3(Si18O45)(H2O)2 |
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_database_code_amcsd 0005930 |
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26.3511 7.5464 22.9769 90 107.237 90 C2/c |
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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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Na .25296 .1907 .23718 .0375 .0170 .0481 .0449 -.0042 .0057 .0226 |
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CsA1 .11036 .48491 .31362 .955 .0231 .0222 .0239 .0255 .0027 .0107 .0034 |
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NaA1 .11036 .48491 .31362 .045 .0231 .0222 .0239 .0255 .0027 .0107 .0034 |
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CsA2 .07532 .00166 .50643 .945 .0266 .0219 .0327 .0275 .0009 .0111 .0035 |
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NaA2 .07532 .00166 .50643 .045 .0266 .0219 .0327 .0275 .0009 .0111 .0035 |
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KA2 .07532 .00166 .50643 .010 .0266 .0219 .0327 .0275 .0009 .0111 .0035 |
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ZrM1 .17912 -.00648 .32024 .910 .0089 .0081 .0100 .0084 .0001 .0023 -.0002 |
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TiM1 .17912 -.00648 .32024 .070 .0089 .0081 .0100 .0084 .0001 .0023 -.0002 |
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FeM1 .17912 -.00648 .32024 .020 .0089 .0081 .0100 .0084 .0001 .0023 -.0002 |
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ZrM2 0 1/2 1/2 .910 .0085 .0075 .0095 .0088 0 .0030 -.0004 |
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SnM2 0 1/2 1/2 .040 .0085 .0075 .0095 .0088 0 .0030 -.0004 |
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TiM2 0 1/2 1/2 .050 .0085 .0075 .0095 .0088 0 .0030 -.0004 |
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Si1 .04249 -.00854 .31620 .0097 .0088 .0101 .0103 .0002 .0032 -.0001 |
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Si2 -.00924 .68043 .36302 .0109 .0102 .0103 .0118 .0009 .0027 .0016 |
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Si3 .13751 .49717 .49844 .0101 .0084 .0111 .0107 .0003 .0027 -.0003 |
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Si4 .12536 .78656 .18612 .0113 .0097 .0112 .0121 .0002 .0022 -.0011 |
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Si5 .12873 .17752 .18188 .0117 .0105 .0110 .0125 -.0011 .0016 .0010 |
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Si6 -.01291 .29072 .36739 .0105 .0099 .0102 .0116 -.0006 .0035 -.0016 |
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Si7 .18290 .48317 .13367 .0109 .0101 .0123 .0099 -.0004 .0027 -.0002 |
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Si8 .19452 .19610 .45256 .0115 .0098 .0122 .0122 .0001 .0029 -.0021 |
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Si9 .19345 .80347 .45413 .0121 .0107 .0123 .0127 -.0002 .0027 .0022 |
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O1 .03541 .8041 .3479 .0175 .0136 .0144 .0254 -.0016 .0074 .0071 |
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O2 .00615 .4802 .3470 .0150 .0166 .0111 .0209 -.0006 .0111 .0009 |
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O3 .12111 .9785 .15214 .0164 .0237 .0108 .0123 -.0014 .0018 .0010 |
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O4 0 .0053 1/4 .0202 .0165 .0278 .0132 0 -.0001 0 |
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O5 .02927 .1465 .3589 .0178 .0174 .0167 .0183 .0064 .0037 -.0052 |
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O6 .15326 .2964 .1382 .0190 .0214 .0202 .0155 -.0085 .0056 .0011 |
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O7 .16780 .1764 .2498 .0148 .0138 .0136 .0157 -.0016 .0024 -.0010 |
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O8 .25862 -.0178 .31938 .0157 .0111 .0212 .0136 .0008 .0017 .0001 |
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O9 .06632 .7267 .1860 .0174 .0111 .0233 .0167 -.0043 .0026 -.0029 |
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O10 .16334 .7971 .2546 .0137 .0102 .0145 .0146 -.0007 .0008 .0002 |
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O11 .07111 .2526 .1810 .0178 .0107 .0251 .0153 .0026 .0001 .0017 |
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O12 .10194 .0107 .3144 .0174 .0113 .0209 .0213 -.0004 .0068 .0016 |
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O13 .14828 .6448 .1486 .0233 .0231 .0230 .0228 .0075 .0055 -.0073 |
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O14 .18302 .4936 .56416 .0147 .0125 .0210 .0103 .0018 .0028 -.0013 |
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O15 1/4 3/4 1/2 .0257 .0153 .0327 .0241 -.0008 -.0017 .0132 |
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O16 .14702 .6757 .4639 .0202 .0158 .0188 .0243 -.0028 .0035 .0078 |
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O17 .14826 .3305 .45897 .0185 .0136 .0220 .0174 .0055 .0011 -.0074 |
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O18 .17815 .0013 .4719 .0187 .0283 .0121 .0202 -.0002 .0139 .0004 |
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O19 .19696 .1933 .38368 .0145 .0161 .0150 .0127 -.0006 .0047 -.0009 |
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O20 .19362 .8007 .3848 .0172 .0211 .0147 .0159 -.0006 .0056 -.0001 |
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O21 1/4 1/4 1/2 .0242 .0117 .0345 .0218 .0001 -.0021 -.0099 |
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O22 .07918 .4893 .5036 .01845 .0105 .0251 .0211 -.0004 .0069 -.0013 |
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O23 -.01509 .2945 .4360 .0152 .0189 .0142 .0129 -.0015 .0051 .0001 |
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O24 -.01099 .6938 .4317 .0161 .0212 .0145 .0129 .0015 .0054 .0008 |
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Ow25 .2501 -.0217 .1590 .0885 .0595 .1340 .0700 .0410 .0162 -.0354 |
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H1 .237 -.069 .182 .10615 |
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H2 .261 -.110 .132 .10615 |
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Turanite |
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Sokolova E V, Hawthorne F C, Karpenko V V, Agakhanov A A, Pautov L A |
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The Canadian Mineralogist 42 (2004) 731-739 |
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Turanite, Cu5(VO4)2(OH)4, from the Tyuya-Muyun radium-uranium deposit, |
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Osh Region, Kyrgyzstan: A new structure for an old mineral |
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Locality: Osh Region, Kyrgyzstan |
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_database_code_amcsd 0005935 |
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5.3834 6.2736 6.8454 86.169 91.681 92.425 P-1 |
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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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Cu1 0 .5 0 .00884 .00821 .00867 .00937 .00188 .00157 .00302 |
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Cu2 -.00879 .15238 .33553 .00897 .01027 .00822 .00849 .00342 .00262 .00202 |
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Cu3 -.50426 .32074 .17404 .00894 .00786 .00699 .01183 .00053 -.00061 .00012 |
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V -.56313 .80958 .31396 .00732 .00783 .00639 .00786 .00050 .00104 -.00081 |
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O1 .1473 -.1188 .4007 .0104 .0106 .0099 .0108 .0030 .0039 .0014 |
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O2 -.6197 .6156 .1464 .0101 .0115 .0077 .0114 .0016 -.0002 -.0019 |
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O3 -.6049 -.0228 -.2017 .0106 .0117 .0081 .0120 .0007 .0013 .0002 |
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O4 -.3827 .7093 .4952 .0120 .0148 .0107 .0102 .0004 -.0009 -.0002 |
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O5 .1586 .2236 .0820 .0100 .0097 .0108 .0096 .0016 .0012 -.0000 |
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O6 -.1633 .4229 .2514 .0086 .0088 .0085 .0087 .0003 .0006 -.0006 |
|
H1 .193 .119 -.012 .043 |
|
H2 -.185 .529 .346 .01037 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Arapovite |
| |
Uvarova Y A, Sokolova E V, Hawthorne F C, Agakhanov A A, Pautov L A |
|
The Canadian Mineralogist 42 (2004) 1005-1011 |
|
The crystal structure of arapovite, U4+(Ca,Na)2(K1-x_x)[Si8O20],x~0.5, |
|
a new mineral species of the steacyite group from the Dara-i-Pioz moraine, |
|
Tien-Shan Mountains, Tajikistan |
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Locality: Dara-i-Pioz moraine, Tien-Shan Mountains, Tajikistan |
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_database_code_amcsd 0005955 |
|
7.5505 7.5505 14.7104 90 90 90 P4/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U4+A 0 0 .25 .59 .0097 .0071 .0071 .0149 0 0 0 |
|
ThA 0 0 .25 .26 .0097 .0071 .0071 .0149 0 0 0 |
|
CaA 0 0 .25 .10 .0097 .0071 .0071 .0149 0 0 0 |
|
DyA 0 0 .25 .02 .0097 .0071 .0071 .0149 0 0 0 |
|
SmA 0 0 .25 .01 .0097 .0071 .0071 .0149 0 0 0 |
|
PrA 0 0 .25 .01 .0097 .0071 .0071 .0149 0 0 0 |
|
CaB 0 .5 .25 .62 .0141 .0134 .0124 .0165 0 0 0 |
|
NaB 0 .5 .25 .34 .0141 .0134 .0124 .0165 0 0 0 |
|
NdB 0 .5 .25 .02 .0141 .0134 .0124 .0165 0 0 0 |
|
CeB 0 .5 .25 .01 .0141 .0134 .0124 .0165 0 0 0 |
|
BaB 0 .5 .25 .01 .0141 .0134 .0124 .0165 0 0 0 |
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KC 0 0 0 .52 .0339 .0288 .0288 .0442 0 0 0 |
|
Si .2594 .3354 .10846 .0107 .0093 .0097 .0132 .0001 .0008 .0001 |
|
O1 -.2362 .6845 0 .0229 .0263 .0295 .0129 .0000 0 0 |
|
O2 .4538 .2567 .1361 .0172 .0105 .0191 .0221 .0005 .0004 .0036 |
|
O3 -.1026 .2508 .3357 .0157 .0130 .0138 .0202 -.0001 .0037 -.0026 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Nickelalumite |
| |
Uvarova Y A, Sokolova E, Hawthorne F C, Karpenko V V, Agakhanov A A, Pautov L A |
|
The Canadian Mineralogist 43 (2005) 1511-1519 |
|
The crystal chemistry of the "nickelalumite"-group minerals |
|
_database_code_amcsd 0006062 |
|
10.2567 8.8815 17.0989 90 95.548 90 P2_1/n |
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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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NiM .74867 .49993 .49280 .55 .0068 .0026 .0023 .0157 -.0001 .0017 -.0003 |
|
ZnM .74867 .49993 .49280 .39 .0068 .0026 .0023 .0157 -.0001 .0017 -.0003 |
|
VM .74867 .49993 .49280 .02 .0068 .0026 .0023 .0157 -.0001 .0017 -.0003 |
|
FeM .74867 .49993 .49280 .01 .0068 .0026 .0023 .0157 -.0001 .0017 -.0003 |
|
Al1 .0001 .3286 .5016 .0081 .0061 .0053 .0128 -.0001 .0004 -.0002 |
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Al2 .5005 .6741 .5045 .0083 .0055 .0054 .0140 .0003 .0006 -.0004 |
|
Al3 .2485 .1611 .4976 .0076 .0059 .0032 .0136 .0002 .0014 -.0001 |
|
Al4 .2496 -.1606 .5001 .0075 .0057 .0024 .0143 -.0004 .0007 -.0004 |
|
S .4887 .1094 .7406 .0107 .0115 .0112 .0094 -.0005 .0011 .0002 |
|
O13 .5242 .0252 .6717 .0186 .0295 .0138 .0132 -.0013 .0056 .0033 |
|
O14 .9158 .4892 .2890 .0297 .0403 .0351 .0150 .0223 .0089 .0004 |
|
O15 .6095 .1637 .7855 .0212 .0206 .0242 .0171 -.0075 -.0067 .0008 |
|
O16 .4075 .2392 .7142 .0241 .0248 .0211 .0257 .0144 -.0003 -.0037 |
|
Oh1 .5816 .4971 .5540 .0066 .0052 .0054 .0092 .0016 .0003 -.0020 |
|
Oh2 .9219 .4993 .4427 .0078 .0065 .0060 .0104 -.0013 -.0016 -.0008 |
|
Oh3 .6497 .3211 .4375 .0072 .0089 .0060 .0065 -.0001 -.0005 -.0002 |
|
Oh4 .8473 .3246 .5567 .0073 .0085 .0030 .0099 -.0024 -.0016 -.0017 |
|
Oh5 .1068 .1938 .5588 .0100 .0103 .0083 .0120 .0001 .0034 .0022 |
|
Oh6 .1820 -.0011 .4376 .0084 .0073 .0072 .0098 .0004 -.0043 .0002 |
|
Oh7 .6477 .6824 .4430 .0063 .0051 .0053 .0083 -.0008 -.0006 -.0025 |
|
Oh8 .8500 .6749 .5559 .0079 .0079 .0067 .0094 -.0016 .0018 .0026 |
|
Oh9 -.1058 .1949 .4421 .0100 .0092 .0085 .0131 -.0012 .0040 -.0048 |
|
Oh10 .6104 .8037 .5629 .0099 .0094 .0081 .0126 -.0038 .0028 -.0033 |
|
Oh11 .3947 -.1945 .4453 .0097 .0096 .0059 .0140 .0014 .0037 .0037 |
|
Oh12 .3126 .0016 .5595 .0079 .0044 .0072 .0110 -.0010 -.0045 -.0005 |
|
Ow17 -.1529 -.2224 .2225 .0245 .0223 .0228 .0293 .0011 .0066 .0024 |
|
Ow18 .7271 .4018 .6938 .0518 .0623 .0602 .0342 -.0357 .0110 -.0060 |
|
Ow19 -.0255 .0065 .3135 .0339 .0446 .0292 .0265 -.0056 -.0035 .0051 |
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H1 -.246 -.208 .228 .0294 |
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H2 -.124 -.318 .247 .0294 |
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H3 .775 .490 .717 .0622 |
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H4 .703 .334 .735 .0622 |
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H5 -.034 .088 .275 .0406 |
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H6 -.061 -.087 .289 .0406 |
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H7 .620 .484 .609 .008 |
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H8 .892 .497 .386 .0094 |
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H9 .648 .317 .3797 .0087 |
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H10 .844 .320 .6140 .0088 |
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H11 .088 .118 .598 .012 |
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H12 .130 .003 .386 .0101 |
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H13 .626 .697 .386 .0076 |
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H14 .865 .678 .6139 .0095 |
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H15 -.087 .118 .403 .012 |
|
H16 .596 .874 .606 .0119 |
|
H17 .411 -.134 .399 .0116 |
|
H18 .371 .011 .609 .0094 |
|
|
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View JMOL 3-D Structure
|
| |
|
Holfertite |
| |
Sokolova E, Hawthorne F C, Belakovskiy D I, Pautov L A |
|
The Canadian Mineralogist 43 (2005) 1545-1552 |
|
The OD (order-disorder) structure of holfertite, a hydrated uranyl |
|
titanate mineral from Searle Canyon, Thomas Range, Utah, USA |
|
Locality: Searle Canyon, Thomas Range, Utah, USA |
|
_database_code_amcsd 0006067 |
|
10.824 10.824 7.549 90 90 120 P3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
U1A .4559 .4504 .0724 .75 .1033 .141 .058 .0000 -.033 .0029 .0038 |
|
U1B .536 .595 .072 .15 .117 .167 .22 .02702 .141 -.047 -.028 |
|
U1C .559 .512 .079 .10 .068 .005 .017 .13 -.035 .013 .019 |
|
U2 .4869 .4936 .5703 .77 .127 .162 .128 .0000 .003 -.0006 -.006 |
|
Ti1 2/3 1/3 -.1810 .066 .098 .098 .000 .049 0 0 |
|
Ti2 2/3 1/3 .3233 .054 .081 .081 .000 .040 0 0 |
|
Ti3 1/3 2/3 .320 .5 .015 .022 .022 .000 .011 0 0 |
|
Ti4 1/3 2/3 .826 .5 .023 .035 .035 .000 .017 0 0 |
|
Ca .073 .127 .560 .25 |
|
O1 .829 .461 .341 .09 |
|
O2 .526 .361 .798 .09 |
|
O3 .353 .507 .815 .5 .03 |
|
O4 .153 .652 .299 .5 .01 |
|
OH5 .263 .631 .580 .33 .05 |
|
O6 .629 .5615 .574 .75 .04 |
|
O7 .648 .373 .066 .33 .05 |
|
O8 .300 .268 .582 .75 .11 |
|
OH9 .270 .571 .081 .33 .05 |
|
O10 .331 .230 .062 .18 |
|
O11 2/3 1/3 .572 .10 |
|
O12 .615 .615 .069 .02 |
|
Wat13 .151 .874 .786 .5 |
|
Wat14 0 0 .478 .5 |
|
Wat15 .737 .879 .067 .5 |
|
Wat16 .996 .061 .062 .5 |
|
Wat17 .080 .845 .169 .5 |
|
Wat18 .127 .084 .558 .5 |
|
Wat19 .115 .129 .067 .33 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Senkevichite |
| |
Uvarova Y A, Sokolova E, Hawthorne F C, Agakhanov A A, Pautov L A, Karpenko V Y |
|
The Canadian Mineralogist 44 (2006) 1341-1348 |
|
The crystal chemistry of senkevichite, CsKNaCa2TiO[Si7O18(OH)], from the |
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Dara-I-Pioz alkaline massif, northern Tajikistan |
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Locality: Dara-i-Pioz moraine, Alai ridge, Tien-Shan Mountains, Tajikistan |
|
_database_code_amcsd 0006127 |
|
10.4191 12.2408 7.0569 90.857 99.193 91.895 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CsA1 .63686 .89743 .77051 .90 .0182 .0157 .0169 .0219 -.0015 .0034 -.0031 |
|
KA1 .63686 .89743 .77051 .08 .0182 .0157 .0169 .0219 -.0015 .0034 -.0031 |
|
KA2 .55314 .64832 .2707 .0185 .0162 .0230 .0165 .0017 .0025 .0006 |
|
Na .0195 .8883 .3891 .0149 .0143 .0144 .0162 .0038 .0016 .0024 |
|
CaM2 .11883 .59094 .9095 .0085 .0075 .0091 .0087 .0001 .0014 .0008 |
|
CaM3 .12262 .57715 .40821 .62 .0091 .0081 .0101 .0090 .0004 .0012 .0002 |
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MnM3 .12262 .57715 .40821 .30 .0091 .0081 .0101 .0090 .0004 .0012 .0002 |
|
FeM3 .12262 .57715 .40821 .06 .0091 .0081 .0101 .0090 .0004 .0012 .0002 |
|
TiM1 .00917 .89850 .89618 .93 .0066 .0061 .0070 .0068 -.0003 .0013 .0004 |
|
NbM1 .00917 .89850 .89618 .04 .0066 .0061 .0070 .0068 -.0003 .0013 .0004 |
|
Si1 .1318 .30739 .8740 .0062 .0063 .0076 .0046 .0006 .0009 -0 |
|
Si2 .1304 .30134 .4266 .0066 .0065 .0083 .0049 .0004 .0007 .0006 |
|
Si3 .31497 .41614 .1982 .0067 .0042 .0085 .0072 .0008 .0002 .0009 |
|
Si4 .6883 .18824 -.0015 .0080 .0079 .0093 .0068 .0005 .0013 -.0004 |
|
Si5 .6952 .19562 .5723 .0097 .0093 .0116 .0080 .0014 .0009 .0013 |
|
Si6 .6055 .35742 .2699 .0074 .0063 .0090 .0072 .0013 .0011 .0006 |
|
Si7 .7286 .01788 .2834 .0082 .0084 .0085 .0079 .0010 .0020 .0011 |
|
O1 .2751 .3433 .9991 .0107 .0077 .0142 .0093 -.0002 -.0008 -.0027 |
|
O2 .0833 .1924 .9472 .0129 .0125 .0134 .0138 -.0018 .0053 .0045 |
|
O3 .0346 .4055 .8730 .0101 .0089 .0109 .0101 .0020 -.0001 .0004 |
|
O4 .1680 .2824 .6601 .0108 .0134 .0151 .0044 .0044 .0023 .0023 |
|
O5 .0841 .1844 .3328 .0123 .0138 .0108 .0109 -.0015 -.0013 -.0039 |
|
O6 .0312 .3984 .3829 .0113 .0113 .0121 .0110 .0044 .0025 .0016 |
|
O7 .2725 .3402 .3698 .0115 .0095 .0139 .0120 .0012 .0041 .0040 |
|
O8 .2535 .5326 .1887 .0111 .0099 .0109 .0123 .0037 .0003 .0009 |
|
O9 .4738 .4277 .2401 .0100 .0036 .0117 .0145 .0010 .0010 .0002 |
|
O10 .5995 .2828 .0741 .0144 .0181 .0176 .0076 .0083 .0014 -.0032 |
|
O11 .6480 .0732 .0918 .0115 .0076 .0145 .0118 .0001 -.0008 .0058 |
|
O12 .8395 .2177 .0594 .0110 .0087 .0109 .0134 -.0003 .0015 -.0012 |
|
O13 .6359 .1776 .7702 .0124 .0119 .0180 .0079 .0005 .0034 0 |
|
O14 .8366 .2455 .5958 .0147 .0091 .0173 .0172 .0014 .0004 .0012 |
|
O15 .6793 .0749 .4679 .0141 .0174 .0142 .0124 .0004 .0078 -.0009 |
|
O16 .5896 .2739 .4448 .0114 .0098 .0143 .0099 .0019 .0007 .0057 |
|
O17 .7321 .4346 .3090 .0119 .0050 .0159 .0145 -.0025 .0015 .0007 |
|
O18 .6737 .8920 .2783 .0180 .0111 .0130 .0297 .0008 .0023 .0014 |
|
O19 .8822 .0310 .2909 .0104 .0077 .0133 .0106 .0014 .0021 .0003 |
|
O20 .9025 .0144 .8809 .0087 .0058 .0096 .0106 .0006 .0010 -.0002 |
|
H .738 .844 .298 .0216 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Faizievite |
| |
Uvarova Yu A, Sokolova E, Hawthorne F C, Agakhanov A A, Pautov L A |
| |
The Canadian Mineralogist 46 (2008) 163-171 |
|
The crystal chemistry of faizievite, K2Li6Na(Ca6Na)Ti4[Si6O18]2[Si12O30]F2, |
|
a novel structure based on intercalated blocks of the baratovite and |
|
berezanskite structures |
|
Locality: Dara-i-Poiz glacier, Alai mountain ridge, Tien-Shan Mountains, Tajikistan |
|
_database_code_amcsd 0006162 |
|
9.8156 9.8249 17.3087 99.209 94.670 119.839 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Li1 .0806 .1015 .2129 .0114 .0018 .0144 .0245 .0073 .0041 .0092 |
|
Li2 -.4128 -.3992 .2143 .0128 .0103 .0127 .0093 .0013 .0075 .0008 |
|
Li3 -.4225 .0952 .2119 .0140 .0200 .0119 .0193 .0133 .0049 .0089 |
|
KA1 .9146 .3924 .7745 .965 .0249 .0199 .0228 .0342 .0121 .0065 .0081 |
|
BaA1 .9146 .3924 .7745 .020 .0249 .0199 .0228 .0342 .0121 .0065 .0081 |
|
RbA1 .9146 .3924 .7745 .015 .0249 .0199 .0228 .0342 .0121 .0065 .0081 |
|
NaA2 .3337 .1676 .0032 .86 .0350 |
|
CaM1 .2884 .3543 .49983 .0074 .0072 .0075 .0091 .0047 00026 .0025 |
|
CaM2 .1489 .9347 .51649 .935 .0084 .0059 .0075 .0116 .0032 .0016 .0024 |
|
SrM2 .1489 .9347 .51649 .065 .0084 .0059 .0075 .0116 .0032 .0016 .0024 |
|
CaM3 .4259 .7867 .50910 .78 .0090 .0076 .0094 .0103 .0050 .0015 .0008 |
|
NaM3 .4259 .7867 .50910 .20 .0090 .0076 .0094 .0103 .0050 .0015 .0008 |
|
SrM3 .4259 .7867 .50910 .02 .0090 .0076 .0094 .0103 .0050 .0015 .0008 |
|
CaM4 0 .5 .5 .73 .0110 .0084 .0098 .0150 .0057 .0012 .0003 |
|
NaM4 0 .5 .5 .27 .0110 .0084 .0098 .0150 .0057 .0012 .0003 |
|
Ti1 .4153 .2695 .21637 .0024 .0019 .0026 .0028 .0014 -.0000 .0006 |
|
Ti2 -.2525 -.0651 .21454 .0033 .0019 .0032 .0051 .0016 .0005 .0012 |
|
Si1 .7618 .4199 .3383 .0062 .0058 .0057 .0068 .0039 -.0010 -.0013 |
|
Si2 .5077 .0979 .6625 .0058 .0069 .0066 .0073 .0055 .0027 .0022 |
|
Si3 .3974 .6639 .0932 .0066 .0067 .0070 .0066 .0041 -.0009 .0014 |
|
Si4 .3730 .5384 .3392 .0059 .0055 .0039 .0080 .0024 .0019 .0008 |
|
Si5 .1552 .3031 .0932 .0068 .0056 .0081 .0070 .0033 .0005 .0033 |
|
Si6 .2516 .0291 .3403 .0061 .0054 .0061 .0078 .0034 .0019 .0024 |
|
Si7 .6721 .4225 .0924 .0068 .0082 .0065 .0067 .0043 .0029 .0014 |
|
Si8 -.1130 -.2157 .3392 .0058 .0047 .0050 .0075 .0020 .0019 .0021 |
|
Si9 .2757 -.0953 .0935 .0073 .0073 .0082 .0065 .0049 .0000 -.0009 |
|
Si10 .0089 .2956 .3378 .0062 .0036 .0073 .0072 .0029 .0010 .0000 |
|
Si11 -.2075 .1811 .0921 .0066 .0069 .0083 .0066 .0052 .0015 .0022 |
|
Si12 .9132 .7840 .0925 .0069 .0062 .0066 .0061 .0026 .0018 -.0010 |
|
O1 .5993 .2869 .2751 .0090 .0030 .0091 .0136 .0025 -.0016 .0032 |
|
O2 .4539 .4686 .2789 .0091 .0095 .0078 .0118 .0058 .0057 .0008 |
|
O3 -.2345 -.1966 .2795 .0095 .0051 .0077 .0144 .0018 -.0014 .0066 |
|
O4 -.0649 .1255 .2744 .0094 .0044 .0064 .0131 .0015 -.0005 -.0027 |
|
O5 .2723 .1450 .2796 .0086 .0098 .0115 .0094 .0078 .0050 .0059 |
|
O6 .2231 .2278 .1483 .0092 .0102 .0088 .0108 .0049 .0029 .0074 |
|
O7 .5431 .4017 .1463 .0106 .0135 .0089 .0102 .0067 .0037 .0003 |
|
O8 .3966 .0783 .1480 .0086 .0044 .0044 .0124 -.0001 -.0007 -.0007 |
|
O9 -.3883 -.0281 .2761 .0078 .0069 .0091 .0134 .0062 .0081 .0075 |
|
O10 -.1101 -.0857 .1469 .0108 .0081 .0124 .0127 .0066 .0027 -.0000 |
|
O11 -.2932 .0562 .1451 .0114 .0110 .0092 .0167 .0061 .0059 .0053 |
|
O12 -.4335 -.2676 .1475 .0101 .0063 .0057 .0154 .0019 -.0031 .0014 |
|
O13 .2609 .5686 .5708 .0144 .0158 .0148 .0096 .0056 .0015 .0043 |
|
O14 .8321 .5950 .3150 .0108 .0110 .0059 .0163 .0035 .0053 .0065 |
|
O15 .8994 .3758 .3251 .0147 .0125 .0155 .0267 .0139 .0050 .0083 |
|
O16 .4194 .0216 .5713 .0130 .0132 .0171 .0092 .0087 .0024 .0012 |
|
O17 .6479 .0575 .6820 .0099 .0114 .0138 .0134 .0120 .0070 .0042 |
|
O18 .5990 .2941 .6817 .0124 .0132 .0056 .0185 .0048 .0018 .0041 |
|
O19 .4104 .6381 .0001 .0227 .0239 .0296 .0086 .0116 -.0010 -.0004 |
|
O20 .2677 .4966 .1122 .0168 .0126 .0068 .0274 .0014 .0002 .0092 |
|
O21 .3270 .7810 .1134 .0164 .0162 .0113 .0207 .0081 -.0002 -.0006 |
|
O22 .4401 .5655 .4314 .0142 .0195 .0168 .0085 .0115 .0020 .0013 |
|
O23 .1791 .4189 .3157 .0094 .0013 .0096 .0141 .0006 .0020 .0023 |
|
O24 .1387 .2279 .0002 .0216 .0329 .0350 .0043 .0235 .0029 .0024 |
|
O25 -.0152 .2697 .1116 .0176 .0117 .0242 .0223 .0130 .0037 .0059 |
|
O26 .3022 .1221 .4326 .0119 .0102 .0133 .0118 .0073 -.0008 -.0005 |
|
O27 .0658 -.1211 .3186 .0120 .0057 .0102 .0178 .0024 .0036 .0029 |
|
O28 .8145 .6089 .1118 .0174 .0158 .0104 .0240 .0038 .0087 .0072 |
|
O29 .7594 .3259 .1120 .0180 .0213 .0202 .0281 .0189 .0131 .0121 |
|
O30 .0962 -.1685 .1119 .0182 .0080 .0174 .0259 .0055 .0040 -.0002 |
|
O31 .1125 .1578 .5684 .0115 .0148 .0153 .0054 .0085 .0025 .0025 |
|
O32 .2714 -.0902 .0009 .0228 .0304 .0214 .0071 .0086 -.0011 -.0012 |
|
O33 .0306 .2819 .4280 .0139 .0155 .0137 .0104 .0056 .0004 .0050 |
|
F .1739 .7233 .4533 .815 .0209 .0195 .0243 .0202 .0130 .0039 .0029 |
|
O .1739 .7233 .4533 .185 .0209 .0195 .0243 .0202 .0130 .0039 .0029 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Nalivkinite |
| |
Uvarova Y A, Sokolova E, Hawthorne F C, Agakhanov A A, Pautov L A |
| |
The Canadian Mineralogist 46 (2008) 651-659 |
|
The crystal structure of nalivkinite, a new lithium member of the astrophyllite group |
|
Locality: Tien-Shan Mountains, northern Tajikistan |
|
_database_code_amcsd 0006189 |
|
5.3745 11.9299 11.6509 113.325 94.524 103.080 P-1 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
FeM1 .8490 .2053 .4796 .855 .0081 .0078 .0065 .0125 .0029 .0032 .0058 |
|
CaM1 .8490 .2053 .4796 .035 .0081 .0078 .0065 .0125 .0029 .0032 .0058 |
|
PbM1 .8490 .2053 .4796 .010 .0081 .0078 .0065 .0125 .0029 .0032 .0058 |
|
FeM2 .2804 .06734 .4895 .0075 .0066 .0065 .0127 .0028 .0035 .0068 |
|
FeM3 .4225 .35177 .4848 .550 .0076 .0072 .0055 .0135 .0035 .0038 .0061 |
|
MnM3 .4225 .35177 .4848 .450 .0076 .0072 .0055 .0135 .0035 .0038 .0061 |
|
FeM4 0 .5 .5 .830 .0073 .0059 .0047 .0131 .0023 .0024 .0052 |
|
SnM4 0 .5 .5 .090 .0073 .0059 .0047 .0131 .0023 .0024 .0052 |
|
MgM4 0 .5 .5 .040 .0073 .0059 .0047 .0131 .0023 .0024 .0052 |
|
ZnM4 0 .5 .5 .040 .0073 .0059 .0047 .0131 .0023 .0024 .0052 |
|
TiD .0781 .0856 .1976 .780 .0105 .0066 .0087 .0191 .0043 .0038 .0074 |
|
NbD .0781 .0856 .1976 .120 .0105 .0066 .0087 .0191 .0043 .0038 .0074 |
|
ZrD .0781 .0856 .1976 .080 .0105 .0066 .0087 .0191 .0043 .0038 .0074 |
|
TaD .0781 .0856 .1976 .020 .0105 .0066 .0087 .0191 .0043 .0038 .0074 |
|
SiT1 .6767 .2703 .2308 .981 .0077 .0059 .0104 .0121 .0037 .0035 .0091 |
|
AlT1 .6767 .2703 .2308 .019 .0077 .0059 .0104 .0121 .0037 .0035 .0091 |
|
SiT2 .8144 .5467 .2564 .981 .0081 .0081 .0060 .0127 .0024 .0021 .0061 |
|
AlT2 .8144 .5467 .2564 .019 .0081 .0081 .0060 .0127 .0024 .0021 .0061 |
|
SiT3 .3802 .6767 .2584 .981 .0059 .0061 .0041 .0094 .0019 .0017 .0046 |
|
AlT3 .3802 .6767 .2584 .019 .0059 .0061 .0041 .0094 .0019 .0017 .0046 |
|
SiT4 .5049 .9309 .2347 .981 .0074 .0078 .0060 .0113 .0029 .0019 .0061 |
|
AlT4 .5049 .9309 .2347 .019 .0074 .0078 .0060 .0113 .0029 .0019 .0061 |
|
KA1a .1464 .2860 .9977 .375 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
|
LiA1a .1464 .2860 .9977 .070 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
|
CsA1a .1464 .2860 .9977 .045 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
|
NaA1a .1464 .2860 .9977 .010 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
|
LiA1b .087 .177 -.000 .500 .0290 .0186 .0589 .0000 .0117 .0008 .0028 |
|
NaB .5 0 0 .780 .0074 .0119 .0082 .0037 .0041 .0013 .0036 |
|
CaB .5 0 0 .220 .0074 .0119 .0082 .0037 .0041 .0013 .0036 |
|
O1 .7252 .3158 .3840 .0074 .0092 .0092 .0067 .0037 .0020 .0058 |
|
O2 .1462 .1600 .3723 .0076 .0105 .0063 .0053 .0029 .0008 .0015 |
|
O3 .1261 .3895 .5902 .0073 .0049 .0046 .0136 .0013 .0016 .0049 |
|
O4 .2998 .4626 .4003 .0093 .0125 .0065 .0121 .0048 .0029 .0059 |
|
O5 .9913 .1171 .5917 .0093 .0096 .0085 .0137 .0044 .0050 .0071 |
|
O6 .5571 .2554 .5872 .0070 .0064 .0090 .0100 .0035 .0029 .0076 |
|
O7 .5730 .0162 .3885 .0080 .0090 .0060 .0115 .0030 .0019 .0057 |
|
O8 .0749 .5898 .2025 .0159 .0132 .0177 .0149 .0010 .0043 .0067 |
|
O9 .2491 .0421 .8303 .0226 .0183 .0219 .0184 -.0048 .0080 .0041 |
|
O10 .4273 .4131 .7972 .0147 .0169 .0173 .0126 .0107 .0029 .0059 |
|
O11 .1266 .8075 .8317 .0230 .0297 .0312 .0206 .0243 .0105 .0140 |
|
O12 .2610 .9557 .1696 .0221 .0286 .0204 .0167 .0191 -.0029 .0021 |
|
O13 .2706 .6062 .8033 .0180 .0278 .0099 .0186 .0048 .0042 .0086 |
|
O14 .5742 .2211 .8002 .0188 .0312 .0105 .0176 .0050 .0041 .0093 |
|
O15 .3820 .1889 .1664 .0206 .0135 .0305 .0123 -.0081 -.0028 .0123 |
|
F 0 0 0 .0174 .0177 .0149 .0211 .0052 .0022 .0091 |
|
H1 .21 .416 .309 .0112 |
|
H2 .05 .167 .686 .0112 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Turkestanite |
| |
Kabalov Yu K, Sokolova E V, Pautov L A, Schneider J |
| |
Crystallography Reports 43 (1998) 584-588 |
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Crystal structure of a new mineral turkestanite: a calcium analogue of steacyite |
|
Locality: Dzhelisu massif, Alayskiy range, Tien Shan, Kyrgyzstan |
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Note: calculated Biso's disagree with reported values |
|
Note: z(O3) adjusted to match reported bond lengths |
|
_database_code_amcsd 0012357 |
|
7.5792 7.5792 14.7042 90 90 90 P4/mcc |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
ThA 0 0 .25 .85 .0035 .0035 .0028 0 0 0 |
|
CaB 0 .5 .25 .70 .7 .0028 .0028 .0019 0 0 0 |
|
NaB 0 .5 .25 .25 .7 .0028 .0028 .0019 0 0 0 |
|
KC 0 0 0 .53 1.8 .026 .026 .002 0 0 0 |
|
Si .2597 .3358 .1073 2.8 .008 .007 .0059 -.001 .0000 .0004 |
|
O1 .229 .310 0 3.3 |
|
O2 .454 .261 .1337 2.6 |
|
O3 .111 .258 .1574 2.6 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Tsaregorodtsevite |
|
Sokolova E V, Rybakov V B, Pautov L A, Pushcharovsky D Yu |
| |
Doklady Akademii Nauk SSSR 332 (1993) 309-312 |
|
Structural changes in tsaregorodtsevite |
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_database_code_amcsd 0012488 |
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8.984 8.937 8.927 90 90 90 I222 |
|
atom x y z occ Biso |
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N 0 0 0 1.8 |
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C1 .001 .127 .116 1/3 3.8 |
|
C2 .126 .007 .119 1/3 4.8 |
|
C3 .121 .117 .001 1/3 4.9 |
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Si1 .5 .2511 0 1.08 |
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Si2 .2491 0 .5 1.05 |
|
Si3 0 .5 .2498 .5 1.09 |
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Al3 0 .5 .2498 .5 1.09 |
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O1 .003 .3550 .3537 3.45 |
|
O2 .3509 -.001 .3544 3.8 |
|
O3 .3531 .3540 .007 3.9 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tsaregorodtsevite |
|
Sokolova E V, Rybakov V B, Pautov L A, Pushcharovsky D Yu |
| |
Doklady Akademii Nauk SSSR 332 (1993) 309-312 |
|
Structural changes in tsaregorodtsevite |
|
Note: T = 870 C |
|
_database_code_amcsd 0012489 |
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8.908 8.908 8.925 90 90 90 I422 |
|
atom x y z occ Biso |
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N 0 0 0 |
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C .070 .105 .088 4.3 |
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Si1 .2489 0 .5 1.95 |
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Si2 0 .5 .25 .5 2.02 |
|
Al2 0 .5 .25 .5 2.02 |
|
O1 .3539 .3539 0 5.5 |
|
O2 .3503 -.010 .3538 4.89 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tsaregorodtsevite |
|
Sokolova E V, Rybakov V B, Pautov L A, Pushcharovsky D Yu |
| |
Doklady Akademii Nauk SSSR 332 (1993) 309-312 |
|
Structural changes in tsaregorodtsevite |
|
Note: T = 970 C |
|
_database_code_amcsd 0012490 |
|
8.817 8.817 8.817 90 90 90 I432 |
|
atom x y z occ Biso |
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N 0 0 0 |
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C .09 .09 .09 |
|
Si .25 .5 0 5/6 4.4 |
|
Al .25 .5 0 1/6 4.4 |
|
O 0 .3558 .3558 7.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Shibkovite |
| |
Sokolova E V, Rybakov V B, Pautov L A |
| |
Doklady Akademii Nauk SSSR 369 (1999) 378-380 |
|
Crystal structure of shibkovite |
|
_database_code_amcsd 0012494 |
|
10.502 10.502 14.184 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
CaA 1/3 2/3 .25 .63 .81 |
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MnA 1/3 2/3 .25 .2 .81 |
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NaA 1/3 2/3 .25 .17 .81 |
|
KB 1/3 2/3 0 .63 1.39 |
|
KC 0 0 .25 1.17 |
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ZnT2 0 .5 .25 .79 |
|
SiT1 .0980 .3358 .1121 .40 |
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O1 .1098 .3676 0 1.2 |
|
O2 .2045 .2707 .1393 1.06 |
|
O3 .1403 .4831 .1674 .81 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Byzantievite |
| |
Sokolova E, Hawthorne F C, Pautov L A, Agakhanov A A |
| |
Mineralogical Magazine 74 (2010) 285-308 |
|
Byzantievite, Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O21[(OH),F]43(H2O)1.5: |
|
the crystal structure and crystal chemistry of the only known mineral with the |
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oxyanions (BO3), (SiO4) and (PO4) |
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Locality: Alai ridge, Tien-Shan Mountains, northern Tajikistan |
|
_database_code_amcsd 0014601 |
|
9.1202 9.1202 102.145 90 90 120 R3 |
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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) |
|
TiD(1) .8947 .5614 .98244 .70 .0261 .024 .019 .032 .007 .002 .005 |
|
NbD(1) .8947 .5614 .98244 .30 .0261 .024 .019 .032 .007 .002 .005 |
|
TiD(2) 0 0 .97553 .70 .0149 .013 .013 .018 .0067 0 0 |
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NbD(2) 0 0 .97553 .30 .0149 .013 .013 .018 .0067 0 0 |
|
TiD(3) 0 0 .35890 .70 .0103 .015 .015 .000 .0077 0 0 |
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NbD(3) 0 0 .35890 .30 .0103 .015 .015 .000 .0077 0 0 |
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TiD(4) 0 0 .02562 .70 .0123 .017 .017 .003 .0086 0 0 |
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NbD(4) 0 0 .02562 .30 .0123 .017 .017 .003 .0086 0 0 |
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TiD(5) 0 0 .30898 .70 .0120 .010 .010 .017 .0048 0 0 |
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NbD(5) 0 0 .30898 .30 .0120 .010 .010 .017 .0048 0 0 |
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TiD(6) .8981 .5659 .01880 .70 .0160 .012 .016 .017 .0047 .0024 -.0021 |
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NbD(6) .8981 .5659 .01880 .30 .0160 .012 .016 .017 .0047 .0024 -.0021 |
|
TiD(7) .3348 .3320 .85877 .46 .040 .022 .049 .050 .017 .014 .008 |
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NbD(7) .3348 .3320 .85877 .23 .040 .022 .049 .050 .017 .014 .008 |
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TiD(8) .9986 .6664 .80872 .46 .050 .033 .029 .079 .009 -.005 -.003 |
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NbD(8) .9986 .6664 .80872 .23 .050 .033 .029 .079 .009 -.005 -.003 |
|
TiD(9) .1019 .0933 .18471 .12 .009 .000 .000 .000 -.020 -.033 -.026 |
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NbD(9) .1019 .0933 .18471 .05 .009 .000 .000 .000 -.020 -.033 -.026 |
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TiD(10) .5668 .3279 .18534 .12 .004 .020 .023 .000 .034 -.007 -.001 |
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NbD(10) .5668 .3279 .18534 .05 .004 .020 .023 .000 .034 -.007 -.001 |
|
TiD(11) .3337 .5702 .18499 .12 .003 .019 .011 .000 .025 -.038 -.024 |
|
NbD(11) .3337 .5702 .18499 .05 .003 .019 .011 .000 .025 -.038 -.024 |
|
TiD(12) .10241 .0938 .14928 .12 .028 .018 .000 .011 -.037 .007 .005 |
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NbD(12) .10241 .0938 .14928 .05 .028 .018 .000 .011 -.037 .007 .005 |
|
TiD(13) .5543 .3281 .14908 .12 .032 .000 .000 .08 -.015 .014 -.011 |
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NbD(13) .5543 .3281 .14908 .05 .032 .000 .000 .08 -.015 .014 -.011 |
|
TiD(14) .3222 .5323 .15006 .12 .057 .000 .15 .016 .037 -.014 -.05 |
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NbD(14) .3222 .5323 .15006 .05 .057 .000 .15 .016 .037 -.014 -.05 |
|
YM(1) 0 0 .06042 .50 .0232 .0201 .0201 .029 .0101 0 0 |
|
CaM(1) 0 0 .06042 .25 .0232 .0201 .0201 .029 .0101 0 0 |
|
CeM(1) 0 0 .06042 .12 .0232 .0201 .0201 .029 .0101 0 0 |
|
LaM(1) 0 0 .06042 .05 .0232 .0201 .0201 .029 .0101 0 0 |
|
NdM(1) 0 0 .06042 .04 .0232 .0201 .0201 .029 .0101 0 0 |
|
DyM(1) 0 0 .06042 .01 .0232 .0201 .0201 .029 .0101 0 0 |
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GdM(1) 0 0 .06042 .01 .0232 .0201 .0201 .029 .0101 0 0 |
|
PrM(1) 0 0 .06042 .01 .0232 .0201 .0201 .029 .0101 0 0 |
|
SmM(1) 0 0 .06042 .01 .0232 .0201 .0201 .029 .0101 0 0 |
|
CaM(2) .6655 .6320 .08415 .62 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
|
CeM(2) .6655 .6320 .08415 .17 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
|
LaM(2) .6655 .6320 .08415 .08 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
|
NdM(2) .6655 .6320 .08415 .06 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
|
DyM(2) .6655 .6320 .08415 .02 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
|
GdM(2) .6655 .6320 .08415 .02 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
|
PrM(2) .6655 .6320 .08415 .02 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
|
SmM(2) .6655 .6320 .08415 .01 .0304 .038 .047 .0114 .0252 -.0029 -.0026 |
|
CaM(3) 0 0 .39375 .52 .0119 .0007 .0007 .034 .0003 0 0 |
|
YM(3) 0 0 .39375 .25 .0119 .0007 .0007 .034 .0003 0 0 |
|
CeM(3) 0 0 .39375 .12 .0119 .0007 .0007 .034 .0003 0 0 |
|
LaM(3) 0 0 .39375 .04 .0119 .0007 .0007 .034 .0003 0 0 |
|
NdM(3) 0 0 .39375 .03 .0119 .0007 .0007 .034 .0003 0 0 |
|
DyM(3) 0 0 .39375 .01 .0119 .0007 .0007 .034 .0003 0 0 |
|
GdM(3) 0 0 .39375 .01 .0119 .0007 .0007 .034 .0003 0 0 |
|
PrM(3) 0 0 .39375 .01 .0119 .0007 .0007 .034 .0003 0 0 |
|
SmM(3) 0 0 .39375 .01 .0119 .0007 .0007 .034 .0003 0 0 |
|
YM(4) 0 0 .94121 .0149 .0168 .0168 .011 .0084 0 0 |
|
CaM(5) .6667 .5789 .04567 .47 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
YM(5) .6667 .5789 .04567 .25 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
FeM(5) .6667 .5789 .04567 .07 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
CeM(5) .6667 .5789 .04567 .10 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
LaM(5) .6667 .5789 .04567 .04 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
NdM(5) .6667 .5789 .04567 .03 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
DyM(5) .6667 .5789 .04567 .01 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
GdM(5) .6667 .5789 .04567 .01 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
PrM(5) .6667 .5789 .04567 .01 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
SmM(5) .6667 .5789 .04567 .01 .0257 .0261 .0160 .035 .0106 -.0004 -.0007 |
|
CaM(6) .9122 .3332 .95584 .47 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
YM(6) .9122 .3332 .95584 .25 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
FeM(6) .9122 .3332 .95584 .07 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
CeM(6) .9122 .3332 .95584 .10 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
LaM(6) .9122 .3332 .95584 .04 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
NdM(6) .9122 .3332 .95584 .03 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
DyM(6) .9122 .3332 .95584 .01 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
GdM(6) .9122 .3332 .95584 .01 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
PrM(6) .9122 .3332 .95584 .01 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
SmM(6) .9122 .3332 .95584 .01 .0138 .0120 .0126 .019 .0081 -.0018 -.0034 |
|
CaM(7) .3682 .0322 .91743 .62 .0339 .036 .046 .011 .014 .0034 .0030 |
|
CeM(7) .3682 .0322 .91743 .17 .0339 .036 .046 .011 .014 .0034 .0030 |
|
LaM(7) .3682 .0322 .91743 .08 .0339 .036 .046 .011 .014 .0034 .0030 |
|
NdM(7) .3682 .0322 .91743 .06 .0339 .036 .046 .011 .014 .0034 .0030 |
|
DyM(7) .3682 .0322 .91743 .02 .0339 .036 .046 .011 .014 .0034 .0030 |
|
GdM(7) .3682 .0322 .91743 .02 .0339 .036 .046 .011 .014 .0034 .0030 |
|
PrM(7) .3682 .0322 .91743 .02 .0339 .036 .046 .011 .014 .0034 .0030 |
|
SmM(7) .3682 .0322 .91743 .01 .0339 .036 .046 .011 .014 .0034 .0030 |
|
CaM(8) 0 0 .27458 .44 .0156 .0175 .0175 .012 .0088 0 0 |
|
YM(8) 0 0 .27458 .25 .0156 .0175 .0175 .012 .0088 0 0 |
|
CeM(8) 0 0 .27458 .14 .0156 .0175 .0175 .012 .0088 0 0 |
|
LaM(8) 0 0 .27458 .07 .0156 .0175 .0175 .012 .0088 0 0 |
|
NdM(8) 0 0 .27458 .05 .0156 .0175 .0175 .012 .0088 0 0 |
|
DyM(8) 0 0 .27458 .02 .0156 .0175 .0175 .012 .0088 0 0 |
|
GdM(8) 0 0 .27458 .01 .0156 .0175 .0175 .012 .0088 0 0 |
|
PrM(8) 0 0 .27458 .01 .0156 .0175 .0175 .012 .0088 0 0 |
|
SmM(8) 0 0 .27458 .01 .0156 .0175 .0175 .012 .0088 0 0 |
|
CaM(9) .9984 .6633 .10806 .21 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
SrM(9) .9984 .6633 .10806 .10 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
CeM(9) .9984 .6633 .10806 .11 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
LaM(9) .9984 .6633 .10806 .05 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
NdM(9) .9984 .6633 .10806 .04 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
DyM(9) .9984 .6633 .10806 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
GdM(9) .9984 .6633 .10806 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
PrM(9) .9984 .6633 .10806 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
SmM(9) .9984 .6633 .10806 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
CaM(10) .3382 .3364 .89368 .21 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
SrM(10) .3382 .3364 .89368 .22 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
CeM(10) .3382 .3364 .89368 .06 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
LaM(10) .3382 .3364 .89368 .03 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
NdM(10) .3382 .3364 .89368 .02 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
DyM(10) .3382 .3364 .89368 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
GdM(10) .3382 .3364 .89368 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
PrM(10) .3382 .3364 .89368 .01 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
SmM(10) .3382 .3364 .89368 .00 .0324 .0373 .0377 .026 .0216 .0018 .0022 |
|
Si(1) 0 0 .09745 .042 .034 .034 .057 .0171 0 0 |
|
Si(2) 0 0 .90406 .042 .034 .034 .057 .0171 0 0 |
|
Si(3) 0 0 .23833 .042 .034 .034 .057 .0171 0 0 |
|
Si(4) 0 0 .43087 .042 .034 .034 .057 .0171 0 0 |
|
PT(1) .9889 .6554 .07080 .52 .022 .009 .025 .023 .001 .007 -.003 |
|
SiT(1) .9889 .6554 .07080 .11 .022 .009 .025 .023 .001 .007 -.003 |
|
PT(2) .6635 .0060 .93081 .52 .009 .000 .010 .004 -.006 .010 -.011 |
|
SiT(2) .6635 .0060 .93081 .11 .009 .000 .010 .004 -.006 .010 -.011 |
|
BaA(1) .0718 .3330 .00070 .0213 .0186 .0205 .0254 .0102 -.0004 .0008 |
|
BaA(2A) .4115 .0762 .83387 .22 .0202 .028 .029 .010 .019 -.011 .002 |
|
BaA(2B) .2719 .9939 .83386 .22 .0202 .028 .029 .010 .019 -.011 .002 |
|
BaA(2C) .3329 .9353 .83408 .22 .0202 .028 .029 .010 .019 -.011 .002 |
|
B(1) .6695 .8968 .0394 .03 |
|
B(2) .1062 .7737 .9632 .03 |
|
B(3) 0 0 .7692 .03 |
|
B(4) 0 0 .55946 .03 |
|
B(5) 0 0 .48424 .167 .03 |
|
B(6) 0 0 .14939 .167 .03 |
|
B(7) 0 0 .81612 .167 .03 |
|
B(8) 0 0 .5181 .167 .03 |
|
B(9) 0 0 .18175 .167 .03 |
|
B(10) 0 0 .84736 .167 .03 |
|
O(1) 0 0 .08206 .02 |
|
O(2) .1757 .040 .1045 .02 |
|
O(3) 0 0 .91972 .02 |
|
O(4) .1616 .004 .89763 .02 |
|
O(5) .260 .786 .9607 .02 |
|
O(6) .120 .929 .9612 .02 |
|
O(7) .8117 .883 .0399 .02 |
|
O(8) .5157 .1848 .1043 .02 |
|
O(9) .953 .628 .9640 .02 |
|
O(10) .669 .046 .0383 .02 |
|
O(11) .529 .741 .0409 .02 |
|
O(12) .847 .329 .0222 .02 |
|
O(13) .7055 .1836 .65222 .02 |
|
O(14) .1893 .1500 .98535 .02 |
|
O(15) .145 .619 .0162 .02 |
|
O(16) .860 .529 .00050 .02 |
|
O(17) .1989 .146 .01582 .02 |
|
O(18) .8551 .331 .97710 .02 |
|
O(19) .655 .063 .91673 .67 .02 |
|
OH(19) .655 .063 .91673 .33 .02 |
|
O(20) .931 .598 .08500 .67 .02 |
|
OH(20) .931 .598 .08500 .33 .02 |
|
O(21) .5103 .983 .9389 .67 .02 |
|
OH(21) .5103 .983 .9389 .33 .02 |
|
O(22) .8373 .144 .0650 .67 .02 |
|
OH(22) .8373 .144 .0650 .33 .02 |
|
O(23) .1584 .8236 .0708 .67 .02 |
|
OH(23) .1584 .8236 .0708 .33 .02 |
|
O(24) .669 .8426 .9335 .67 .02 |
|
OH(24) .669 .8426 .9335 .33 .02 |
|
O(25) .296 .1668 .9375 .67 .02 |
|
OH(25) .296 .1668 .9375 .33 .02 |
|
O(26) .5078 .989 .06369 .67 .02 |
|
OH(26) .5078 .989 .06369 .33 .02 |
|
O(27) .965 .027 .25346 .33 .02 |
|
O(28) .002 .944 .4160 .33 .02 |
|
O(29) .1736 .013 .4354 .02 |
|
O(30) .9864 .1562 .23292 .02 |
|
O(31) .8590 .8631 .56455 .02 |
|
OH(32) .1398 .1302 .18759 .50 .02 |
|
O(32) .1398 .1302 .18759 .17 .02 |
|
OH(33) .5190 .3361 .1823 .50 .02 |
|
O(33) .5190 .3361 .1823 .17 .02 |
|
OH(34) .2909 .5005 .1835 .50 .02 |
|
O(34) .2909 .5005 .1835 .17 .02 |
|
OH(35) .467 .534 .20374 .67 .02 |
|
OH(36) .316 .184 .1272 .67 .02 |
|
OH(37) .462 .522 .1293 .67 .02 |
|
OH(38) .6510 .1785 .1520 .50 .02 |
|
O(38) .6510 .1785 .1520 .17 .02 |
|
OH(39) .329 .186 .20653 .67 .02 |
|
OH(40) .8547 .0034 .15212 .50 .02 |
|
O(40) .8547 .0034 .15212 .17 .02 |
|
OH(41) .143 .299 .20370 .67 .02 |
|
OH(42) .175 .333 .1257 .67 .02 |
|
OH(43) .4008 .5633 .1493 .50 .02 |
|
O(43) .4008 .5633 .1493 .17 .02 |
|
OH(44) .5084 .317 .1855 .33 .02 |
|
OH(45) .3233 .5400 .1474 .33 .02 |
|
OH(46) .1429 .1623 .1503 .33 .02 |
|
Wat(47) .3685 .5199 .16858 .17 .02 |
|
Wat(48) .495 .318 .1660 .17 .02 |
|
OH(49) .552 .373 .1471 .33 .02 |
|
Wat(50) .132 .119 .16727 .17 .02 |
|
OH(51) .3341 .5703 .20605 .17 .02 |
|
OH(52) .56530 .3292 .20560 .17 .02 |
|
OH(53) .0999 .095 .20626 .17 .02 |
|
OH(54) .3248 .5335 .13048 .17 .02 |
|
OH(55) .55690 .3217 .12805 .17 .02 |
|
OH(56) .10573 .0962 .12971 .17 .02 |
|
OH(57) .147 .3035 .1889 .17 .02 |
|
OH(58) .491 .509 .1878 .17 .02 |
|
OH(59) .306 .111 .1878 .17 .02 |
|
OH(60) .151 .325 .1442 .17 .02 |
|
OH(61) .519 .511 .1485 .17 .02 |
|
OH(62) .3408 .163 .1458 .17 .02 |
|
OH(63) .371 .523 .1856 .33 .02 |
|
OH(64) .1414 .1692 .1833 .33 .02 |
|
F(1) 0 0 .7171 .007 |
|
F(2) 0 0 .6180 .013 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mendeleevite-(Ce) |
| |
Sokolova E, Hawthorne F C, Pautov L A, Agakhanov A A, Karpenko V Y |
| |
Mineralogical Magazine 75 (2011) 2583-2596 |
|
The crystal structure and crystal chemistry of mendeleevite-(Ce), |
|
(Cs,_)6(_,Cs)6(_,K)6(REE,Ca,_)30(Si70O175)(H2O,OH,F,_)35, |
|
a potential microporous material |
|
Locality: moraine of the Darai-Pioz glacier, Alai mountain ridge, |
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Tien-Shan mountains, northern Tajikistan |
|
_database_code_amcsd 0018578 |
|
21.9148 21.9148 21.9148 90 90 90 Pm3 |
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atom x y z occ Uiso |
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CeM(1) .28869 .29333 .16693 .50 .01081 |
|
LaM(1) .28869 .29333 .16693 .26 .01081 |
|
NdM(1) .28869 .29333 .16693 .14 .01081 |
|
PrM(1) .28869 .29333 .16693 .07 .01081 |
|
SmM(1) .28869 .29333 .16693 .02 .01081 |
|
GdM(1) .28869 .29333 .16693 .01 .01081 |
|
CeM(2A) .40430 .40992 .11371 .39 .0182 |
|
LaM(2A) .40430 .40992 .11371 .20 .0182 |
|
NdM(2A) .40430 .40992 .11371 .11 .0182 |
|
PrM(2A) .40430 .40992 .11371 .05 .0182 |
|
SmM(2A) .40430 .40992 .11371 .01 .0182 |
|
GdM(2A) .40430 .40992 .11371 .01 .0182 |
|
CaM(2A) .40430 .40992 .11371 .02 .0182 |
|
CeM(2B) .3844 .4123 .1193 .05 .0182 |
|
LaM(2B) .3844 .4123 .1193 .02 .0182 |
|
NdM(2B) .3844 .4123 .1193 .01 .0182 |
|
PrM(2B) .3844 .4123 .1193 .01 .0182 |
|
CaM(3) .30685 .31416 0 .74 .0207 |
|
SrM(3) .30685 .31416 0 .17 .0207 |
|
CeM(3) .30685 .31416 0 .02 .0207 |
|
LaM(3) .30685 .31416 0 .01 .0207 |
|
NdM(3) .30685 .31416 0 .01 .0207 |
|
CsA(1) .23200 .5 .24858 .78 .0448 |
|
CsA(2) .5 .4200 .3981 .22 .0459 |
|
KB(1) .0892 .3728 0 .35 .044 |
|
KB(2) .078 .404 0 .02 .044 |
|
Si(1) .42893 .5 .24647 .0132 |
|
Si(2) .23758 .43094 .07310 .0112 |
|
Si(3) .06963 .26204 .16567 .0111 |
|
Si(4) .42934 .25606 .07078 .0124 |
|
Si(5) .14260 .37357 .15483 .0116 |
|
Si(6) .36548 .38330 .27932 .0219 |
|
Si(7) .16716 .16716 .16716 .0098 |
|
O(1) .1704 .4079 .0957 .0161 |
|
O(2) .4035 .5 .1785 .020 |
|
O(3) .1940 .3439 .1973 .0152 |
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O(4) 0 .2518 .1432 .015 |
|
O(5) .3861 .3043 .1037 .0178 |
|
O(6) .4257 .1900 .1037 .0195 |
|
O(7) .0961 .3221 .1288 .0193 |
|
O(8) .2891 .3841 .0941 .0203 |
|
O(9) .2706 .2376 .0762 .0192 |
|
O(10) .5 .2773 .0719 .017 |
|
O(11) .3490 .3730 .2098 .0330 |
|
O(12) .2342 .4333 0 .022 |
|
O(13) .2477 .5 .0992 .014 |
|
O(14) .3992 .3238 .3079 .0304 |
|
O(15) .4111 .4411 .2855 .050 |
|
O(16) .4077 .2479 0 .022 |
|
O(17) .1413 .1073 .2031 .0166 |
|
O(18) .2095 .2095 .2095 .014 |
|
O(19) .5 .5177 .2475 .5 .029 |
|
F .2778 .2778 .2778 .0142 |
|
WatO(20) .3779 .5 .0512 .5 .025 |
|
OHO(20) .3779 .5 .0512 .5 .025 |
|
WatO(21) .5 .4304 .0567 .5 .060 |
|
OHO(21) .5 .4304 .0567 .5 .060 |
|
WatO(22) .5 0 0 2/3 .048 |
|
WatO(23) .5 .3849 .1678 .42 .054 |
|
OHO(23) .5 .3849 .1678 .35 .054 |
|
FO(23) .5 .3849 .1678 .23 .054 |
|
WatO(24) .1829 .3036 0 .77 .045 |
|
WatO(25) 0 .3870 .4029 .42 .057 |
|
OHO(25) 0 .3870 .4029 .35 .057 |
|
FO(25) 0 .3870 .4029 .23 .057 |
|
WatO(26) .5 .5 .5 .5 .03 |
|
WatO(27) 0 .305 0 1/3 .063 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kapitsaite-(Y) |
| |
Sokolova E V, Ferraris G, Ivaldi G, Pautov L A, Khvorov P V |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 2000 (2000) 74-84 |
|
Crystal structure of kapitsaite-(Y), a new borosilicate isotypic with |
|
hyalotekite - Crystal chemistry of the related isomorphous series |
|
Locality: Dara-i-Pioz glacier, Alaiskii mountain range, Tien-Shan, |
|
Garmskii district, Northern Tajikistan |
|
_database_code_amcsd 0014904 |
|
11.181 10.850 10.252 90.64 90.05 89.97 I-1 |
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atom x y z occ Uiso |
|
Ba1 .179 .181 .005 .33 .019 |
|
Ba1A .2014 .2059 .0132 .67 .015 |
|
Ba2 .8023 .2020 .0117 .84 .021 |
|
PbBa2A .830 .170 .005 .1 .001 |
|
KBa2A .830 .170 .005 .06 .001 |
|
YM .9999 .0004 .2272 .5 .017 |
|
CaM .9999 .0004 .2272 .33 .017 |
|
GdM .9999 .0004 .2272 .04 .017 |
|
DyM .9999 .0004 .2272 .04 .017 |
|
SmM .9999 .0004 .2272 .03 .017 |
|
NdM .9999 .0004 .2272 .03 .017 |
|
ErM .9999 .0004 .2272 .03 .017 |
|
SiT .320 .500 -.002 .15 .019 |
|
BT .320 .500 -.002 .85 .019 |
|
B .500 .345 .033 .006 |
|
Si1 .1969 .5250 .2411 .012 |
|
Si2 .8033 .5259 .2402 .011 |
|
Si3 .0008 .3199 .2637 .015 |
|
Si4 -.0002 .7217 .2791 .013 |
|
O1 .879 .638 .302 .026 |
|
O2 .882 .400 .233 .023 |
|
O3 .119 .399 .228 .022 |
|
O4 .120 .638 .303 .025 |
|
O5 .239 .569 .094 .015 |
|
O6 .760 .567 .093 .014 |
|
O7 .608 .408 .077 .018 |
|
O8 .392 .408 .075 .010 |
|
O9 .502 .216 .083 .016 |
|
O10 .501 .666 .113 .010 |
|
O11 -.001 .786 .143 .020 |
|
O12 .999 .202 .171 .006 |
|
O13 .305 .506 .339 .019 |
|
O14 .698 .510 .340 .019 |
|
F 0 0 0 .015 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ankinovichite |
| |
Karpenko V Y, Pautov L A, Sokolova E V, Hawthorne F C, Agakhanov A A, Dikaya T V |
| |
Zapiski Vserossijskogo Mineralogicheskogo Obshchestva 133 (2004) 59-70 |
|
Ankinovichite - the nickel analogue of alvanite - a new mineral from Kurumsak |
|
(Kazakhstan) and Kara-Chagyr (Kyrgystan) |
|
Locality: Kara-Chagyr, Kyrgystan |
|
Note: isostructural with alvanite |
|
_database_code_amcsd 0015715 |
|
17.8098 5.1228 8.8665 90 92.141 90 P2_1/n |
|
atom x y z occ Uiso |
|
NiM 0 .5 .5 .72 .0059 |
|
ZnM 0 .5 .5 .28 .0059 |
|
Al1 .9987 .9979 .3264 .0092 |
|
Al2 .0021 .5011 .8393 .0093 |
|
V .24260 .1170 .1359 .94 .0064 |
|
O1 .2912 .845 .2247 .022 |
|
O2 .1713 .014 .0317 .016 |
|
O3 .2994 .267 .0255 .021 |
|
OH4 .0562 .3204 .6806 .006 |
|
OH5 .4473 .3552 .9932 .005 |
|
OH6 .9455 .6803 .6746 .006 |
|
OH7 .0573 .3913 .0061 .006 |
|
OH8 .0570 .8060 .8107 .007 |
|
OH9 .9447 .199 .7995 .010 |
|
O10 .2078 .218 .6956 .039 |
|
H1 .234 .170 .786 |
|
H2 .223 .143 .613 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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