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Astrophyllite |
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Piilonen P C, McDonald A M, Lalonde A E |
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The Canadian Mineralogist 41 (2003) 27-54 |
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Insights into astrophyllite-group minerals II: Crystal chemistry |
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Note: sample LAB3, peralkaline nepheline gneiss |
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Locality: Seal Lake, Labrador, Canada |
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_database_code_amcsd 0005802 |
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5.4049 11.9175 11.7488 112.93 94.627 103.139 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe(1) .8501 .20583 .47990 .876 .0140 .0130 .0125 .0175 .0040 .0039 .0069 |
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Na(1) .8501 .20583 .47990 .124 .0140 .0130 .0125 .0175 .0040 .0039 .0069 |
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Fe(2) .2806 .06789 .48911 .956 .0150 .0138 .0143 .0189 .0050 .0046 .0082 |
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Fe(3) .4227 .35217 .48551 .944 .0149 .0134 .0137 .0196 .0049 .0047 .0081 |
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Fe(4) 0 .5 .5 .436 .0137 .0122 .0118 .0171 .0031 .0029 .0061 |
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Mg(4) 0 .5 .5 .064 .0137 .0122 .0118 .0171 .0031 .0029 .0061 |
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Ti .07953 .08683 .19795 .575 .0136 .0107 .0132 .0180 .0039 .0031 .0073 |
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Zr .07953 .08683 .19795 .425 .0136 .0107 .0132 .0180 .0039 .0031 .0073 |
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Si(1) .6785 .27350 .2323 .0150 .0171 .0115 .0151 .0035 .0024 .0048 |
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Si(2) .8143 .54736 .2549 .0154 .0164 .0128 .0174 .0039 .0025 .0069 |
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Si(3) .3785 .67503 .25728 .0150 .0155 .0132 .0173 .0043 .0025 .0073 |
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Si(4) .5065 .93127 .2366 .0145 .0164 .0133 .0143 .0040 .0027 .0066 |
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K .1338 .2666 .9958 .949 .0616 .0925 .0504 .0341 .0129 .0071 .0147 |
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Na .5 0 0 .379 .0233 .0307 .0196 .0176 .0057 .0043 .0066 |
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Ca .5 0 0 .121 .0233 .0307 .0196 .0176 .0057 .0043 .0066 |
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O(1) .7272 .3188 .3842 .0156 .0157 .0164 .0151 .0046 .0035 .0069 |
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O(2) .1486 .1623 .3746 .0191 .0155 .0196 .0212 .0049 .0016 .0079 |
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O(3) .1272 .3917 .5930 .0161 .0149 .0175 .0163 .0049 .0030 .0072 |
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OH(4) .2986 .4631 .4016 .0180 .0158 .0162 .0213 .0037 .0036 .0074 |
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OH(5) .9892 .1164 .5922 .0183 .0189 .0168 .0203 .0051 .0045 .0088 |
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O(6) .5602 .2574 .5896 .0170 .0153 .0187 .0169 .0051 .0027 .0070 |
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O(7) .5728 .0145 .3890 .0155 .0143 .0146 .0167 .0028 .0023 .0064 |
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O(8) .0740 .5912 .2030 .0264 .0222 .0289 .0225 .0003 .0050 .0087 |
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O(9) .2493 .0416 .8262 .0497 .0391 .0497 .0245 -.0242 .0168 -.0029 |
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O(10) .4276 .4132 .7968 .0271 .0272 .0342 .0229 .0163 .0037 .0112 |
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O(11) .1287 .8057 .8302 .0495 .0819 .0678 .0257 .0634 .0212 .0217 |
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O(12) .2664 .9566 .1723 .0480 .0646 .0460 .0268 .0429 -.0116 -.0008 |
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O(13) .26754 .6050 .8046 .0336 .0638 .0141 .0215 .0056 .0039 .0100 |
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O(14) .5727 .2208 .8003 .0353 .0646 .0145 .0225 .0030 .0045 .0086 |
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O(15) .3873 .1927 .1686 .0472 .0289 .0636 .0244 -.0274 -.0070 .0178 |
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F(16) 0 0 0 .50 .0214 .0227 .0213 .0211 .0069 .0040 .0095 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Astrophyllite |
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Piilonen P C, McDonald A M, Lalonde A E |
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The Canadian Mineralogist 41 (2003) 27-54 |
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Insights into astrophyllite-group minerals II: Crystal chemistry |
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Note: sample NOR1, nepheline syenite pegmatite |
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Locality: Langesundsfjord area, Oslo Rift Valley, Norway |
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_database_code_amcsd 0005803 |
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5.3857 11.9072 11.7105 113.062 94.614 103.098 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn(1) .8499 .20611 .47983 .887 .0093 .0080 .0086 .0116 .0020 .0021 .0047 |
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Na(1) .8499 .20611 .47983 .113 .0093 .0080 .0086 .0116 .0020 .0021 .0047 |
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Fe(2) .2806 .06742 .48877 .955 .0104 .0090 .0099 .0141 .0031 .0035 .0063 |
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Fe(3) .4228 .35251 .48585 .936 .0106 .0088 .0102 .0144 .0028 .0032 .0064 |
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Fe(4) 0 .5 .5 .425 .0092 .0077 .0075 .0116 .0014 .0012 .0038 |
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Mg(4) 0 .5 .5 .075 .0092 .0077 .0075 .0116 .0014 .0012 .0038 |
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Ti .0791 .08609 .19716 .822 .0075 .0050 .0069 .0112 .0016 .0018 .0044 |
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Nb .0791 .08609 .19716 .178 .0075 .0050 .0069 .0112 .0016 .0018 .0044 |
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Si(1) .6782 .2724 .2324 .0094 .0101 .0080 .0101 .0016 .0012 .0043 |
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Si(2) .8140 .5464 .2539 .0102 .0115 .0071 .0118 .0022 .0015 .0043 |
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Si(3) .3797 .6749 .2565 .0102 .0113 .0086 .0112 .0023 .0017 .0052 |
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Si(4) .5069 .9317 .2361 .0084 .0098 .0069 .0085 .0017 .0010 .0036 |
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K .1373 .2731 .9966 .914 .0559 .0612 .0727 .0249 .0174 .0054 .0128 |
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Rb .1373 .2731 .9966 .086 .0559 .0612 .0727 .0249 .0174 .0054 .0128 |
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Na .5 0 0 .321 .0187 .0264 .0154 .0108 .0029 .0015 .0039 |
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Ca .5 0 0 .179 .0187 .0264 .0154 .0108 .0029 .0015 .0039 |
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O(1) .7260 .3195 .3847 .0102 .0092 .0103 .0090 .0028 .0031 .0017 |
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O(2) .1491 .1607 .3706 .0110 .0094 .0112 .0101 .0025 .0012 .0025 |
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O(3) .1273 .3925 .5936 .0117 .0105 .0127 .0100 .0009 .0004 .0042 |
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OH(4) .2961 .4628 .3999 .0124 .0134 .0093 .0144 .0040 .0019 .0047 |
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OH(5) .9904 .1174 .5927 .0148 .0174 .0128 .0133 .0019 .0031 .0058 |
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O(6) .5569 .2571 .5901 .0110 .0121 .0100 .0086 .0020 .0005 .0026 |
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O(7) .5732 .0146 .3884 .0105 .0091 .0131 .0104 .0036 .0016 .0057 |
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O(8) .0756 .5906 .2014 .0190 .0132 .0224 .0160 -.0013 .0039 .0059 |
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O(9) .2472 .0403 .8266 .0330 .0245 .0346 .0152 -.0181 .0072 -.0009 |
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O(10) .4282 .4143 .7989 .0201 .0267 .0191 .0136 .0098 .0012 .0046 |
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O(11) .1280 .8077 .8305 .0337 .0554 .0471 .0170 .0430 .0135 .0155 |
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O(12) .2653 .9572 .1713 .0311 .0425 .0323 .0139 .0293 -.0096 -.0023 |
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O(13) .2669 .6073 .8061 .0234 .0465 .0057 .0129 .0015 .0009 .0030 |
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O(14) .5725 .2205 .8016 .0239 .0403 .0134 .0171 .0029 .0027 .0086 |
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O(15) .3830 .1918 .1683 .0331 .0206 .0475 .0168 -.0215 -.0055 .0176 |
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F(16) 0 0 0 .50 .0173 .0231 .0170 .0118 .0053 .0015 .0065 |
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H(1) .33 .379 .359 .04 |
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H(2) 1.01 .152 .6851 .04 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Astrophyllite |
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Piilonen P C, McDonald A M, Lalonde A E |
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The Canadian Mineralogist 41 (2003) 27-54 |
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Insights into astrophyllite-group minerals II: Crystal chemistry |
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Sample: RUS4, nepheline syenite pegmatite |
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Locality: Khibina massif, Kola Peninsula, Russia |
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_database_code_amcsd 0005805 |
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5.3776 11.899 11.662 113.114 94.630 103.090 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn(1) .8492 .2063 .4801 .91 .0116 .0092 .0108 .0166 .0038 .0034 .0068 |
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Na(1) .8492 .2063 .4801 .09 .0116 .0092 .0108 .0166 .0038 .0034 .0068 |
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Fe(2) .2806 .06751 .4890 .958 .0120 .0096 .0126 .0167 .0046 .0049 .0079 |
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Fe(3) .4233 .3531 .4863 .86 .0124 .0102 .0114 .0192 .0048 .0048 .0087 |
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Mg(3) .4233 .3531 .4863 .14 .0124 .0102 .0114 .0192 .0048 .0048 .0087 |
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Fe(4) 0 .5 .5 .392 .0106 .0084 .0101 .0143 .0036 .0023 .0056 |
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Mg(4) 0 .5 .5 .108 .0106 .0084 .0101 .0143 .0036 .0023 .0056 |
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Ti .0796 .0868 .1989 .965 .0087 .0054 .0095 .0137 .0038 .0030 .0064 |
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Nb .0796 .0868 .1989 .035 .0087 .0054 .0095 .0137 .0038 .0030 .0064 |
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Si(1) .6778 .2723 .2322 .0104 .0119 .0074 .0121 .0031 .0031 .0042 |
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Si(2) .8140 .5459 .2531 .0121 .0112 .0090 .0168 .0037 .0020 .0058 |
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Si(3) .3797 .6749 .2559 .0118 .0126 .0110 .0144 .0046 .0032 .0070 |
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Si(4) .5066 .9317 .2356 .0104 .0125 .0102 .0113 .0045 .0034 .0065 |
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K .1345 .2674 .9961 .92 .0463 .0654 .0409 .0287 .0124 .0068 .0125 |
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Na .1345 .2674 .9961 .08 .0463 .0654 .0409 .0287 .0124 .0068 .0125 |
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Na .5 0 0 .28 .0172 .0234 .0181 .0122 .0067 .0027 .0081 |
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Ca .5 0 0 .22 .0172 .0234 .0181 .0122 .0067 .0027 .0081 |
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O(1) .7252 .3185 .3840 .0124 .0181 .0060 .0085 .0002 -.0013 .0007 |
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O(2) .1472 .1605 .3705 .0141 .0172 .0108 .0133 .0032 .0005 .0047 |
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O(3) .1291 .3924 .5924 .0148 .0127 .0171 .0162 .0053 .0057 .0075 |
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OH(4) .2980 .4628 .4012 .0167 .0211 .0167 .0144 .0058 .0039 .0085 |
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OH(5) .9910 .1167 .5922 .0145 .0169 .0115 .0095 .0024 .0016 0 |
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O(6) .5560 .2576 .5903 .0117 .0134 .0115 .0113 .0025 .0032 .0064 |
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O(7) .5706 .0147 .3890 .0153 .0143 .0184 .0169 .0069 .0048 .0095 |
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O(8) .0744 .5897 .2004 .0234 .0215 .0255 .0113 -.0045 .0017 .0022 |
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O(9) .2465 .0399 .8278 .0323 .0289 .0317 .0116 -.0154 .0032 -.0029 |
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O(10) .4265 .4137 .7996 .0230 .0280 .0247 .0147 .0130 -.0011 .0047 |
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O(11) .1306 .8087 .8311 .0321 .0533 .0382 .0176 .0377 .0082 .0111 |
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O(12) .2637 .9566 .1695 .0309 .0415 .0311 .0216 .0284 -.0059 .0050 |
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O(13) .2686 .6071 .8076 .0244 .0429 .0094 .0231 .0022 .0069 .0116 |
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O(14) .5757 .2210 .8026 .0288 .0475 .0190 .0253 .0091 .0098 .0146 |
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O(15) .3813 .1899 .1670 .0352 .0209 .0434 .0305 -.0166 .0009 .0196 |
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F(16) 0 0 0 .50 .0170 .0196 .0230 .0089 .0062 .0022 .0072 |
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H(1) .25 .44 .309 .0840 |
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H(2) 1.08 .16 .681 .0658 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Astrophyllite |
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Piilonen P C, McDonald A M, Lalonde A E |
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The Canadian Mineralogist 41 (2003) 27-54 |
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Insights into astrophyllite-group minerals II: Crystal chemistry |
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Sample: RUS8, nepheline syenite pegmatite |
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Locality: Khibina massif, Kola Peninsula, Russia |
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_database_code_amcsd 0005806 |
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5.3754 11.8970 11.6634 113.133 94.638 103.081 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn(1) .84960 .20628 .47984 .900 .0093 .0076 .0092 .0122 .0028 .0027 .0051 |
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Na(1) .84960 .20628 .47984 .100 .0093 .0076 .0092 .0122 .0028 .0027 .0051 |
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Fe(2) .28050 .06758 .48885 .946 .0097 .0077 .0101 .0128 .0032 .0035 .0059 |
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Fe(3) .42326 .35296 .48618 .847 .0097 .0079 .0097 .0134 .0036 .0036 .0059 |
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Mg(3) .42326 .35296 .48618 .153 .0097 .0079 .0097 .0134 .0036 .0036 .0059 |
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Fe(4) 0 .5 .5 .385 .0087 .0068 .0078 .0115 .0023 .0017 .0041 |
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Mg(4) 0 .5 .5 .115 .0087 .0068 .0078 .0115 .0023 .0017 .0041 |
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Ti .0801 .08710 .19911 .958 .0075 .0054 .0086 .0086 .0022 .0014 .0037 |
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Zr .0801 .08710 .19911 .042 .0075 .0054 .0086 .0086 .0022 .0014 .0037 |
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Si(1) .6780 .27199 .23169 .0083 .0081 .0073 .0092 .0017 .0013 .0034 |
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Si(2) .8139 .54579 .25301 .0092 .0084 .0081 .0114 .0022 .0020 .0045 |
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Si(3) .3798 .67496 .25557 .0093 .0089 .0088 .0108 .0025 .0019 .0048 |
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Si(4) .5068 .93187 .23565 .0082 .0088 .0082 .0083 .0025 .0017 .0040 |
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K .1338 .2657 .99575 .90 .0442 .0633 .0378 .0251 .0094 .0043 .0105 |
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Na .1338 .2657 .99575 .10 .0442 .0633 .0378 .0251 .0094 .0043 .0105 |
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Na .5 0 0 .291 .0132 .0183 .0126 .0075 .0042 .0019 .0034 |
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Ca .5 0 0 .209 .0132 .0183 .0126 .0075 .0042 .0019 .0034 |
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O(1) .7264 .3194 .3849 .0110 .0105 .0121 .0095 .0027 .0021 .0040 |
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O(2) .1480 .1603 .3698 .0120 .0124 .0129 .0100 .0033 .0015 .0045 |
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O(3) .1286 .3929 .5936 .0113 .0105 .0123 .0117 .0031 .0017 .0059 |
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OH(4) .2974 .4619 .3998 .0128 .0110 .0126 .0153 .0039 .0027 .0060 |
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OH(5) .9910 .1170 .5929 .0135 .0124 .0127 .0148 .0033 .0031 .0052 |
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O(6) .5561 .2576 .5899 .0110 .0110 .0106 .0113 .0029 .0017 .0048 |
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O(7) .5728 .01493 .3890 .0109 .0119 .0123 .0085 .0039 .0021 .0041 |
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O(8) .0743 .5904 .2008 .0212 .0154 .0270 .0149 -.0025 .0041 .0067 |
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O(9) .2474 .0410 .8284 .0302 .0218 .0309 .0161 -.0141 .0092 -.0015 |
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O(10) .4275 .4146 .8003 .0211 .0235 .0267 .0158 .0173 .0029 .0064 |
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O(11) .1283 .8085 .8314 .0297 .0469 .0426 .0166 .0391 .0132 .0139 |
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O(12) .2644 .9569 .1702 .0290 .0369 .0296 .0169 .0264 -.0070 -.0007 |
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O(13) .2673 .6080 .8069 .0223 .0418 .0090 .0140 .0028 .0037 .0055 |
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O(14) .5718 .2208 .8025 .0231 .0437 .0104 .0160 .0044 .0055 .0081 |
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O(15) .3824 .1901 .1667 .0298 .0164 .0435 .0165 -.0164 -.0043 .0145 |
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F(16) 0 0 0 .50 .0137 .0166 .0142 .0093 .0043 .0019 .0041 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Astrophyllite |
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Piilonen P C, McDonald A M, Lalonde A E |
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The Canadian Mineralogist 41 (2003) 27-54 |
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Insights into astrophyllite-group minerals II: Crystal chemistry |
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Note: sample US5 |
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Locality: granitic pegmatite at Mount Rosa, Pikes Peak, Colorado, USA |
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_database_code_amcsd 0005809 |
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5.3627 11.851 11.668 113.040 94.523 103.093 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe(1) .8493 .2055 .4801 .891 .0103 .0095 .0089 .0130 .0018 .0029 .0053 |
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Na(1) .8493 .2055 .4801 .109 .0103 .0095 .0089 .0130 .0018 .0029 .0053 |
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Fe(2) .2801 .06747 .4893 .0118 .0104 .0111 .0152 .0023 .0040 .0069 |
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Fe(3) .4226 .35234 .4862 .0105 .0086 .0096 .0146 .0029 .0043 .0057 |
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Fe(4) 0 .5 .5 .50 .0094 .0067 .0075 .0126 .0017 .0029 .0027 |
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Ti .0786 .08633 .1981 .769 .0095 .0067 .0074 .0148 .0010 .0028 .0054 |
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Nb .0786 .08633 .1981 .231 .0095 .0067 .0074 .0148 .0010 .0028 .0054 |
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Si(1) .6771 .2719 .2330 .0125 .0130 .0122 .0125 .0038 .0028 .0054 |
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Si(2) .8154 .5468 .2546 .0118 .0110 .0093 .0137 .0025 .0029 .0034 |
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Si(3) .3807 .6757 .2573 .0118 .0128 .0111 .0123 .0028 .0019 .0063 |
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Si(4) .5081 .9337 .2371 .0113 .0119 .0102 .0122 .0022 .0020 .0059 |
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K .1315 .2640 .9962 .929 .0640 .0878 .0652 .0266 .0145 .0044 .0117 |
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Rb .1315 .2640 .9962 .071 .0640 .0878 .0652 .0266 .0145 .0044 .0117 |
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Na .5 0 0 .479 .0209 .0351 .0135 .0126 .0037 .0023 .0059 |
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O(1) .7254 .3180 .3857 .0107 .0120 .0074 .0138 -.0004 .0009 .0077 |
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O(2) .1471 .1615 .3730 .0119 .0114 .0090 .0155 -.0003 .0007 .0074 |
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O(3) .1265 .3910 .5928 .0108 .0084 .0102 .0158 .0034 .0035 .0067 |
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OH(4) .2982 .4625 .4010 .0115 .0157 .0071 .0140 .0035 .0022 .0065 |
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OH(5) .9901 .1162 .5911 .0137 .0143 .0141 .0127 .0053 .0023 .0049 |
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O(6) .5599 .2581 .5908 .0109 .0085 .0113 .0104 .0005 -.0009 .0038 |
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O(7) .5733 .0165 .3898 .0117 .0110 .0115 .0095 .0001 -.0013 .0035 |
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O(8) .0774 .5903 .2016 .0214 .0161 .0226 .0174 -.0005 .0025 .0035 |
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O(9) .2452 .0410 .8252 .0447 .0345 .0445 .0139 -.0272 .0126 -.0103 |
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O(10) .4263 .4128 .7979 .0226 .0197 .0258 .0198 .0054 -.0021 .0086 |
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O(11) .1250 .8066 .8287 .0482 .0771 .0711 .0232 .0670 .0226 .0196 |
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O(12) .2634 .9584 .1735 .0446 .0686 .0402 .0163 .0371 -.0205 -.0036 |
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O(13) .2687 .6064 .8039 .0279 .0556 .0081 .0163 .0011 .0029 .0062 |
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O(14) .5736 .2201 .7995 .0323 .0595 .0108 .0269 .0001 .0049 .0143 |
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O(15) .3823 .1921 .1705 .0462 .0277 .0694 .0177 -.0321 -.0060 .0209 |
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F(16) 0 0 0 .50 .0180 .0187 .0191 .0158 .0045 .0006 .0079 |
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H(1) .27 .416 .309 .0406 |
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H(1) .03 .143 .683 .0343 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Astrophyllite |
|
Piilonen P C, McDonald A M, Lalonde A E |
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The Canadian Mineralogist 41 (2003) 27-54 |
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Insights into astrophyllite-group minerals II: Crystal chemistry |
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Sample: MSH33a |
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Locality: aplite/pegmatite at Mont Saint-Hilaire, Quebec, Canada |
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_database_code_amcsd 0005818 |
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5.418 11.933 11.742 112.962 94.620 103.123 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn(1) .8500 .20625 .48069 1.001 .0121 .0081 .0127 .0168 .0035 .0034 .0070 |
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Fe(2) .2807 .06813 .48939 .960 .0124 .0092 .0127 .0168 .0035 .0045 .0069 |
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Fe(3) .4231 .35255 .48621 .954 .0127 .0101 .0123 .0179 .0045 .0051 .0073 |
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Fe(4) 0 .5 .5 .438 .0104 .0077 .0088 .0142 .0019 .0017 .0045 |
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Mg(4) 0 .5 .5 .062 .0104 .0077 .0088 .0142 .0019 .0017 .0045 |
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Ti .0787 .08663 .19725 .462 .0110 .0064 .0113 .0168 .0029 .0033 .0069 |
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Zr .0787 .08663 .19725 .538 .0110 .0064 .0113 .0168 .0029 .0033 .0069 |
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Si(1) .6784 .2739 .2325 .0111 .0119 .0072 .0130 .0012 .0031 .0040 |
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Si(2) .8140 .5474 .2543 .0127 .0118 .0119 .0153 .0034 .0020 .0068 |
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Si(3) .3778 .6744 .2564 .0130 .0115 .0130 .0164 .0043 .0033 .0074 |
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Si(4) .5059 .9305 .2363 .0117 .0109 .0107 .0129 .0017 .0026 .0051 |
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K .1360 .2704 .9956 .87 .0585 .0867 .0512 .0301 .0130 .0069 .0137 |
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Na .1360 .2704 .9956 .13 .0417 .0517 .0434 .0247 .0102 .0047 .0113 |
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Na .5 0 0 .36 .0166 .0241 .0128 .0112 .0037 .0031 .0041 |
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Ca .5 0 0 .14 .0166 .0241 .0128 .0112 .0037 .0031 .0041 |
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O(1) .7260 .3186 .3842 .0130 .0104 .0149 .0121 .0039 .0026 .0038 |
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O(2) .1467 .1626 .3756 .0151 .0065 .0185 .0199 .0044 .0025 .0072 |
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O(3) .1275 .3918 .5926 .0135 .0083 .0145 .0144 .0018 .0037 .0033 |
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OH(4) .2995 .4637 .4027 .0160 .0147 .0104 .0152 .0013 .0016 -.0011 |
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OH(5) .9921 .1170 .5934 .0160 .0173 .0178 .0178 .0072 .0018 .0115 |
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O(6) .5611 .2578 .5888 .0133 .0109 .0115 .0156 .0028 .0035 .0037 |
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O(7) .5721 .0136 .3879 .0129 .0112 .0118 .0154 .0043 .0022 .0048 |
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O(8) .0718 .5908 .2021 .0269 .0195 .0305 .0203 -.0036 .0049 .0055 |
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O(9) .2513 .0419 .8271 .0447 .0288 .0503 .0199 -.0216 .0153 -.0053 |
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O(10) .4292 .4142 .7977 .0274 .0310 .0339 .0177 .0179 .0025 .0067 |
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O(11) .1318 .8058 .8311 .0461 .0776 .0680 .0235 .0644 .0242 .0238 |
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O(12) .2672 .9570 .1727 .0463 .0584 .0450 .0227 .0387 -.0173 -.0073 |
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O(13) .2656 .6056 .8045 .0314 .0575 .0140 .0203 .0013 .0072 .0095 |
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O(14) .5728 .2208 .8008 .0347 .0581 .0213 .0229 .0061 .0070 .0104 |
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O(15) .3863 .1933 .1680 .0431 .0329 .0503 .0244 -.0264 -.0062 .0166 |
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F(16) 0 0 0 .50 .0190 .0172 .0219 .0193 .0076 .0030 .0089 |
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H(1) .20 .407 .318 .0150 |
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H(2) .868 .139 .546 .0150 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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Astrophyllite |
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Piilonen P C, McDonald A M, Lalonde A E |
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The Canadian Mineralogist 41 (2003) 27-54 |
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Insights into astrophyllite-group minerals II: Crystal chemistry |
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Sample: MSH34a |
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Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
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_database_code_amcsd 0005819 |
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5.3996 11.9152 11.7077 113.0413 94.5707 103.1239 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mn(1) .84970 .20633 .48079 .997 .0120 .0105 .0110 .0156 .0038 .0032 .0062 |
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Fe(2) .28090 .06816 .48966 .970 .0121 .0106 .0115 .0160 .0042 .0040 .0068 |
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Fe(3) .42292 .35267 .48662 .962 .0122 .0110 .0113 .0164 .0046 .0042 .0068 |
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Fe(4) 0 .5 .5 .461 .0111 .0099 .0095 .0141 .0035 .0020 .0047 |
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Mg(4) 0 .5 .5 .039 .0111 .0099 .0095 .0141 .0035 .0020 .0047 |
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Ti .07884 .08690 .19810 .621 .0105 .0080 .0103 .0145 .0036 .0027 .0059 |
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Zr .07884 .08690 .19810 .379 .0105 .0080 .0103 .0145 .0036 .0027 .0059 |
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Si(1) .6780 .27320 .23265 .0117 .0131 .0093 .0116 .0030 .0018 .0036 |
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Si(2) .8147 .54699 .25422 .0119 .0125 .0101 .0137 .0036 .0023 .0053 |
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Si(3) .3791 .67501 .25657 .0119 .0124 .0106 .0142 .0038 .0026 .0064 |
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Si(4) .5064 .93177 .23693 .0114 .0132 .0104 .0113 .0037 .0024 .0052 |
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K .1355 .2694 .9956 .89 .0565 .0849 .0480 .0292 .0129 .0056 .0127 |
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Na .1355 .2694 .9956 .11 .0565 .0849 .0480 .0292 .0129 .0056 .0127 |
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Na .5 0 0 .374 .0180 .0265 .0153 .0102 .0043 .0013 .0046 |
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Ca .5 0 0 .126 .0180 .0265 .0153 .0102 .0043 .0013 .0046 |
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O(1) .7255 .3183 .3847 .0125 .0143 .0114 .0114 .0040 .0024 .0042 |
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O(2) .1469 .1626 .3745 .0156 .0140 .0137 .0185 .0030 .0017 .0068 |
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O(3) .1268 .3913 .5927 .0126 .0140 .0115 .0127 .0042 .0022 .0052 |
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OH(4) .2986 .4623 .4016 .0150 .0167 .0140 .0134 .0047 .0022 .0048 |
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OH(5) .9891 .1160 .5910 .0159 .0165 .0152 .0166 .0051 .0031 .0070 |
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O(6) .5588 .2570 .5893 .0134 .0133 .0133 .0142 .0039 .0029 .0061 |
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O(7) .5729 .0154 .3895 .0126 .0154 .0119 .0114 .0050 .0021 .0053 |
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O(8) .0746 .5902 .2014 .0255 .0201 .0328 .0170 -.0008 .0047 .0080 |
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O(9) .2485 .0411 .8267 .0436 .0352 .0451 .0183 -.0212 .0129 -.0029 |
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O(10) .4258 .4130 .7985 .0267 .0298 .0340 .0202 .0201 .0034 .0094 |
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O(11) .1293 .8059 .8305 .0444 .0762 .0623 .0211 .0616 .0201 .0195 |
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O(12) .2656 .9573 .1719 .0430 .0612 .0419 .0188 .0408 -.0125 -.0048 |
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O(13) .2676 .6066 .8049 .0313 .0613 .0121 .0177 .0048 .0028 .0073 |
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O(14) .5735 .2199 .8007 .0327 .0654 .0120 .0179 .0048 .0047 .0074 |
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O(15) .3850 .1927 .1688 .0424 .0286 .0593 .0201 -.0231 -.0060 .0187 |
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F(16) 0 0 0 .50 .0183 .0194 .0179 .0165 .0055 .0021 .0063 |
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H(1) .23 .413 .311 .0705 |
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H(2) 1.03 .151 .6835 .0719 |
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Astrophyllite |
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Sokolova E, Camara F |
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European Journal of Mineralogy 20 (2008) 253-260 |
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Re-investigation of the crystal structure of magnesium astrophyllite |
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Locality: Mt. Yukspor, Khibina alkaline massif, Kola Peninsula, Russia |
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_database_code_amcsd 0007257 |
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5.3327 23.1535 10.3775 90 99.615 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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KA .5 .13847 .5 .98 .0267 .0307 .0268 .0226 0 .0045 0 |
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BaA .5 .13847 .5 .005 .0267 .0307 .0268 .0226 0 .0045 0 |
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NaB 0 0 .5 .65 .0103 .0136 .0099 .0064 0 -.0015 0 |
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CaB 0 0 .5 .14 .0103 .0136 .0099 .0064 0 -.0015 0 |
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NaM1 0 0 0 .0129 .0079 .0127 .0175 0 .0005 0 |
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FeM2 .5 .07440 0 .625 .0093 .0052 .0100 .0125 0 .0009 0 |
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MnM2 .5 .07440 0 .375 .0093 .0052 .0100 .0125 0 .0009 0 |
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FeM3 0 .14505 0 .60 .0091 .0057 .0097 .0120 0 .0022 0 |
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MgM3 0 .14505 0 .40 .0091 .0057 .0097 .0120 0 .0022 0 |
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MgM4 .5 .21399 0 .625 .0098 .0061 .0106 .0128 0 .0019 0 |
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FeM4 .5 .21399 0 .375 .0098 .0061 .0106 .0128 0 .0019 0 |
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TiD .43702 0 .28713 .985 .0064 .0024 .0079 .0091 0 .0019 0 |
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NbD .43702 0 .28713 .015 .0064 .0024 .0079 .0091 0 .0019 0 |
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SiT1 .07901 .21773 .73587 .0073 .0048 .0081 .0092 .0000 .0015 -.0002 |
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SiT2 .07573 .08555 .72932 .0076 .0052 .0080 .0099 -.0003 .0017 -.0002 |
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O1 .4035 0 .1178 .0107 .0082 .0137 .0103 0 .0024 0 |
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O2 .1393 .08202 .8868 .0109 .0094 .0134 .0098 .0002 .0015 -.0002 |
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O3 .2982 .05764 .6609 .0152 .0122 .0200 .0140 .0079 .0045 .0024 |
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O4 .1966 .05755 .3287 .0170 .0115 .0227 .0162 .0090 .0006 -.0033 |
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O5 .0537 .15325 .6769 .0161 .0252 .0091 .0132 -.0001 .0013 -.0001 |
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O6 .1298 .21770 .8930 .0096 .0069 .0122 .0100 .0008 .0018 -.0005 |
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O7 .8141 .74859 .6781 .0139 .0094 .0201 .0126 -.0055 .0031 -.0002 |
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Oh8 .3656 .14762 .1030 .0115 .0094 .0133 .0115 -.0006 .0013 .0004 |
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H .386 .142 .191 .0138 |
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F .5 0 .5 .17 .009 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Astrophyllite |
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Woodrow P J |
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Acta Crystallographica 22 (1967) 673-678 |
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The crystal structure of astrophyllite |
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Locality: El Paso County, Colorado, USA |
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_database_code_amcsd 0009310 |
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5.36 11.76 21.07999 85.13 90. 103.22 A-1 |
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atom x y z occ Biso |
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K1 .40 .235 .002 .9 3.145 |
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NaK1 .40 .235 .002 .1 3.145 |
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Na 0 .5 0 2.713 |
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Fe1 .14 .034 .260 .9 .531 |
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Mn1 .14 .034 .260 .1 .531 |
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Fe2 .71 .176 .256 .9 .773 |
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Mn2 .71 .176 .256 .1 .773 |
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Fe3 .57 .891 .257 .9 .766 |
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Mn3 .57 .891 .257 .1 .766 |
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Fe4 0 .75 .25 .9 .952 |
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Mn4 0 .75 .25 .1 .952 |
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Ti1 .51 .488 .097 .8 .204 |
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NbTi1 .51 .488 .097 .1 .204 |
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ZrTi1 .51 .488 .097 .05 .204 |
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SnTi1 .51 .488 .097 .05 .204 |
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Si1 .81 .049 .130 1.931 |
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Si2 .98 .314 .118 1.807 |
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Si3 .09 .654 .115 1.779 |
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Si4 .24 .920 .128 1.952 |
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O1 .81 .037 .202 2.422 |
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O2 .38 .178 .204 2.376 |
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O3 .95 .321 .193 2.475 |
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O4 .53 .474 .187 2.402 |
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O5 .10 .624 .194 2.399 |
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O6 .67 .765 .201 2.366 |
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O7 .24 .907 .203 2.408 |
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O8 .88 .179 .099 2.464 |
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O9 .27 .356 .085 2.462 |
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O10 .79 .390 .086 2.370 |
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O11 .29 .593 .083 2.500 |
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O12 .80 .622 .085 2.453 |
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O13 .19 .801 .098 2.473 |
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O14 .52 .994 .103 2.346 |
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O15 .03 .985 .099 2.413 |
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O16 .5 .5 0 2.535 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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