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Vayrynenite |
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Huminicki D M C, Hawthorne F C |
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The Canadian Mineralogist 38 (2000) 1425-1432 |
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Refinement of the crystal structure of vayrynenite |
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_database_code_amcsd 0005701 |
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5.4044 14.5145 4.7052 90 102.798 90 P2_1/a |
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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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Mn .24887 .43928 .93894 .774 .0084 .0064 .0082 .0102 .0004 .0010 -.0009 |
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Fe .24887 .43928 .93894 .226 .0084 .0064 .0082 .0102 .0004 .0010 -.0009 |
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P .19518 .10456 .54042 .988 .0062 .0062 .0059 .0062 .0000 .0008 -.0002 |
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Be .4369 .2625 .7811 .0087 .0085 .0089 .0087 -.0002 .0023 .0002 |
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O(1) .3658 .03931 .7548 .0098 .0079 .0099 .0108 .0008 .0006 .0032 |
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O(2) .4608 .36598 .6591 .0086 .0078 .0075 .0112 -.0007 .0038 .0002 |
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O(3) .3440 .19313 .5101 .0090 .0104 .0078 .0087 -.0032 .0023 -.0007 |
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O(4) .1045 .05938 .2441 .0093 .0101 .0093 .0078 -.0002 .0007 -.0023 |
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O(5) .2122 .27691 .9691 .920 .0086 .0076 .0106 .0075 -.0004 .0013 .0005 |
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F(5) .2122 .27691 .9691 .080 .0086 .0076 .0106 .0075 -.0004 .0013 .0005 |
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H .256 .252 1.168 .920 .0340 |
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Swedenborgite |
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Huminicki D M C, Hawthorne F C |
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The Canadian Mineralogist 39 (2001) 153-158 |
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Refinement of the crystal structure of swedenborgite |
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_database_code_amcsd 0005708 |
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5.4317 5.4317 8.8571 90 90 120 P6_3mc |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb 1/3 2/3 0 .0033 .0033 .0032 .0017 0 0 |
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Na 1/3 2/3 .6245 .89 .0154 .0154 .0152 .0077 0 0 |
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Ca 1/3 2/3 .6245 .04 .0154 .0154 .0152 .0077 0 0 |
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Be1 0 0 .0629 .0035 .0035 .0044 .0017 0 0 |
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Be2 .1664 .8336 .3126 .0047 .0047 .0059 .0019 .0009 -.0009 |
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O1 0 0 .3728 .0056 .0056 .0056 .0028 0 0 |
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O2 .4961 .5039 .3706 .0046 .0046 .0080 .0020 -.0023 .0023 |
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O3 .1616 .8384 .1269 .0077 .0077 .0049 .0060 -.0002 .0002 |
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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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Aminoffite |
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Huminicki D M C, Hawthorne F C |
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The Canadian Mineralogist 40 (2002) 915-922 |
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Refinement of the crystal structure of aminoffite |
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_database_code_amcsd 0005773 |
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9.809 9.809 9.844 90 90 90 *P4_2/n |
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.25 .25 .25 |
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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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Ca(1) .06286 .04403 .25852 .0096 .0111 .0099 .0079 .0043 -.0009 -.0025 |
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Ca(2) .25 .75 .25956 .0070 .0075 .0067 .0068 .0004 0 0 |
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Si(1) .03770 .76281 .02968 .0066 .0065 .0068 .0066 -.0006 -.0010 .0001 |
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Si(2) .25 .25 .01020 .0063 .0063 .0057 .0069 .0000 0 0 |
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Be .0371 .7674 .5268 .0093 .0071 .0127 .0082 .0003 .0020 -.0001 |
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O(1) .3733 .6099 .0874 .0086 .0086 .0090 .0082 -.0016 .0002 .0003 |
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O(2) .1054 .6243 .0934 .0088 .0079 .0097 .0088 .0026 .0004 .0007 |
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O(3) .2328 .3865 .1010 .0080 .0094 .0061 .0084 -.0004 .0014 -.0004 |
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O(4) .6185 .7272 .0903 .0092 .0058 .0136 .0083 -.0006 .0005 .0007 |
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O(5) .7898 .4656 .1360 .0126 .0215 .0082 .0080 .0013 .0005 .0005 |
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O(6) .9669 .2339 .1341 .0091 .0102 .0102 .0070 .0003 -.0006 -.0011 |
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H .756 .548 .181 .0245 |
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Seamanite |
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Huminicki D M C, Hawthorne F C |
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The Canadian Mineralogist 40 (2002) 923-928 |
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Hydrogen bonding in the crystal structure of seamanite |
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_database_code_amcsd 0005774 |
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7.8231 15.1405 6.6999 90 90 90 Pbnm |
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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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Mn(1) .27819 .47584 .25 .0114 .0128 .0112 .0103 .0114 .0005 0 |
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Mn(2) .35076 .64067 .50166 .0116 .0143 .0112 .0093 .0116 .0003 .0004 |
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P .69328 .55408 .25 .0072 .0078 .0069 .0078 .0072 -.0006 0 |
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B .0071 .3151 .25 .0110 .0099 .0091 .0139 .0110 -.0003 0 |
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O(1) .4608 .3688 .25 .0135 .0126 .0132 .0145 .0135 -.0002 0 |
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O(2) .1866 .6162 .25 .0135 .0106 .0172 .0128 .0135 -.0032 0 |
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O(3) .0393 .4094 .25 .0148 .0208 .0122 .0115 .0148 .0019 -.0022 |
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O(4) -.1846 .3027 .25 .0121 .0102 .0102 .0158 .0121 .0012 .0093 |
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O(5) .0812 .2733 .0734 .0159 .0113 .0090 .0275 .0159 .0002 .0023 |
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O(6) .7244 .4964 .0646 .0179 .0247 .0131 .0160 .0179 .0050 .0032 |
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O(7) .5040 .5846 .25 .0136 .0154 .0110 .0143 .0136 .0031 -.0009 |
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O(8) .8110 .6348 .25 .0129 .0105 .0151 .0130 .0129 -.0005 .0121 |
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H(1) .399 .314 .218 .5 .0436 |
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H(2) .0616 .621 .25 .0391 |
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H(3) -.041 .446 .327 .5 .0458 |
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H(4) -.216 .2400 .25 .0713 |
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H(5) .101 .317 -.031 .0561 |
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Nikischerite |
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Huminicki D M C, Hawthorne F C |
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The Canadian Mineralogist 41 (2003) 79-82 |
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The crystal structure of nikischerite, NaFeAl3(SO4)2(OH)18(H2O)12, |
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a mineral of the shigaite group |
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_database_code_amcsd 0005826 |
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9.347 9.347 33.000 90 90 120 R-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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Fe -.0007 .3341 .16683 .022 .020 .020 .024 .010 .001 .001 |
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Al1 0 0 .1651 .026 .017 .017 .042 .009 0 0 |
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Al2 1/3 2/3 1/6 .020 .023 .023 .015 .012 0 0 |
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Na 0 0 0 .050 .052 .052 .046 .026 0 0 |
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S 2/3 1/3 .0383 .034 .034 .034 .035 .017 0 0 |
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O1 1/3 2/3 .0069 .038 .057 .057 .001 .026 0 0 |
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O2 .603 .160 .0543 .049 .084 .021 .031 .019 .004 .001 |
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OH1 .565 .132 .1379 .021 .024 .018 .019 .008 -.014 -.003 |
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OH2 .203 .101 .1351 .025 .024 .036 .023 .022 -.004 .001 |
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OH3 .231 .467 .1357 .023 .025 .014 .035 .015 .001 -.003 |
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Wat1 .127 .425 .0564 .056 .052 .052 .071 .032 .005 .013 |
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Wat2 .212 .178 .0505 .059 .045 .051 .067 .014 .007 .011 |
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Bobjonesite |
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Schindler M, Hawthorne F C, Huminicki D M C, Haynes P, Grice J D, Evans H T |
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The Canadian Mineralogist 41 (2003) 83-90 |
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Bobjonesite, VO(SO4)(H2O)3, a new mineral species from Temple Mountain, |
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Emery County, Utah, U.S.A. |
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Locality: Temple Mountain, Emery County, Utah, USA |
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_database_code_amcsd 0005827 |
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7.3940 7.4111 12.0597 90 106.55 90 P2_1/n |
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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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V .56808 .28298 -.12525 .0148 .0122 .0172 .0153 .0009 .0044 .0047 |
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S .2291 .3590 -.01264 .0130 .0118 .0120 .0158 .0001 .0047 .0014 |
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O(1) .4478 .4063 -.2260 .0316 .0245 .0556 .0290 .0137 .0089 .0193 |
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O(2) .7577 .1028 .0128 .0202 .0165 .0196 .0229 .0023 .0030 -.0043 |
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O(3) .4416 .0398 -.1696 .026 .0259 .0340 .0219 -.0145 .0122 -.0116 |
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O(4) .7614 .2042 -.2081 .024 .0167 .0331 .0211 -.0019 .0087 -.0019 |
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O(5) .7627 .4573 -.0356 .026 .0163 .0170 .0427 -.0022 .0121 -.0075 |
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O(6) .4230 .3012 -.0086 .018 .0124 .0220 .0210 .0038 .0066 -.0008 |
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O(7) .1576 .2350 .0596 .021 .0198 .0188 .0220 -.0002 .0102 .0024 |
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O(8) .1073 .3574 -.1310 .025 .0174 .0378 .0167 -.0015 .0045 .0063 |
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H(1) .880 .152 .057 .0200 |
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H(2) .803 -.012 -.009 .0200 |
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H(3) .354 -.001 -.127 .0200 |
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H(4) .915 .512 .253 .0200 |
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H(5) .726 .226 -.2917 .0200 |
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H(6) .889 .251 -.172 .0200 |
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