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Niobokupletskite |
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Piilonen P C, Lalonde A E, McDonald A M, Gault R A |
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The Canadian Mineralogist 38 (2000) 627-639 |
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Niobokupletskite, a new astrophyllite-group mineral from Mont Saint-Hilaire, |
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Quebec, Canada: Description and crystal structure |
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Locality: Mont Saint-Hilaire, Quebec, Canada |
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_database_code_amcsd 0005648 |
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5.4303 11.924 11.747 112.927 94.750 103.175 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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Mn1 .8511 .2057 .4794 .91 .0106 .0026 .0138 .0163 .0031 .0027 .0067 |
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Na1 .8511 .2057 .4794 .09 .0106 .0026 .0138 .0163 .0031 .0027 .0067 |
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Mn2 .2790 .0680 .4871 .90 .0115 .0038 .0164 .0174 .0039 .0044 .0091 |
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Zn2 .2790 .0680 .4871 .10 .0115 .0038 .0164 .0174 .0039 .0044 .0091 |
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Mn3 .4211 .3512 .4844 .85 .0119 .0043 .0154 .0185 .0035 .0043 .0088 |
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Zn3 .4211 .3512 .4844 .15 .0119 .0043 .0154 .0185 .0035 .0043 .0088 |
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Mn4 0 .5 .5 .33 .0110 .0013 .0131 .0166 -.0004 .0020 .0055 |
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Zn4 0 .5 .5 .17 .0110 .0013 .0131 .0166 -.0004 .0020 .0055 |
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Nb .0749 .0818 .1865 .90 .0100 .0004 .0133 .0178 .0026 .0037 .0077 |
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Ti .0749 .0818 .1865 .10 .0100 .0004 .0133 .0178 .0026 .0037 .0077 |
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Si1 .6786 .2745 .2314 .0120 .0068 .0186 .0154 .0060 .0045 .0103 |
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Si2 .8133 .5470 .2526 .0122 .0095 .0136 .0146 .0024 .0023 .0076 |
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Si3 .3765 .6737 .2552 .0133 .0089 .0167 .0149 .0018 .0009 .0084 |
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Si4 .5070 .9296 .2362 .0103 .0049 .0108 .0139 .0018 .0021 .0047 |
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K1a .097 .278 .995 .41 .0433 |
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K1b .164 .2754 .9956 .48 .0433 |
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Rb1b .164 .2754 .9956 .065 .0433 |
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Na .5 0 0 .45 .0179 .0148 .0200 .0147 .0033 -.0011 .0046 |
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O1 .728 .3194 .3832 .0126 .0028 .0226 .0165 .0073 .0033 .0102 |
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O2 .146 .1600 .3682 .0158 .0134 .0167 .0176 .0045 .0021 .0074 |
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O3 .130 .3931 .5949 .0088 |
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OH4 .295 .4631 .3991 .0134 .0102 .0210 .0146 .0114 .0074 .0084 |
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OH5 .993 .1179 .5944 .0139 .0104 .0133 .0142 .0013 .0067 .0023 |
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O6 .559 .2576 .5915 .0096 .0024 .0161 .0107 .0019 .0024 .0060 |
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O7 .573 .0134 .3865 .0102 .0037 .0074 .0184 -.0011 .0000 .0061 |
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O8 .072 .5915 .2004 .0235 .0184 .0284 .0222 .0036 .0131 .0091 |
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O9 .250 .043 .8260 .0486 .0268 .0597 .0210 -.0337 .0051 .0030 |
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O10 .433 .4144 .7988 .0254 .0215 .0359 .0186 .0116 .0022 .0098 |
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O11 .129 .803 .8297 .0431 .0683 .0595 .0238 .0534 .0022 .0182 |
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O12 .267 .954 .1723 .0498 .0709 .0516 .0185 .0526 -.0189 -.0078 |
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O13 .266 .6062 .8075 .0266 .0508 .0106 .0140 .0077 .0035 .0018 |
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O14 .571 .2206 .8024 .0311 .0568 .0088 .0206 -.0014 .0029 .0058 |
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O15 .385 .197 .1693 .0431 .0308 .0559 .0240 -.0247 -.0056 .0202 |
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O16 0 0 0 .50 .0172 .0076 .0277 .0213 .0096 .0065 .0121 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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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
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Kupletskite |
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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 NOR17, alkali granite |
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Locality: Gjerdingen intrusion, Norway |
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_database_code_amcsd 0005804 |
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5.3784 11.9085 11.7236 112.964 94.697 103.112 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) .8494 .20507 .47814 .898 .0096 .0082 .0085 .0117 .0016 .0020 .0042 |
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Na(1) .8494 .20507 .47814 .102 .0096 .0082 .0085 .0117 .0016 .0020 .0042 |
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Mn(2) .2797 .06681 .48767 .985 .0107 .0094 .0099 .0139 .0025 .0037 .0059 |
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Mn(3) .4222 .35156 .48427 .0107 .0094 .0099 .0140 .0028 .0035 .0061 |
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Mn(4) 0 .5 .5 .500 .0097 .0081 .0073 .0128 .0009 .0017 .0040 |
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Ti .0801 .08649 .19765 .900 .0085 .0061 .0081 .0110 .0015 .0016 .0042 |
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Nb .0801 .08649 .19765 .100 .0085 .0061 .0081 .0110 .0015 .0016 .0042 |
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Si(1) .6788 .2719 .2313 .0095 .0095 .0070 .0108 .0009 .0017 .0033 |
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Si(2) .8141 .5467 .2546 .0102 .0102 .0078 .0117 .0014 .0018 .0040 |
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Si(3) .3798 .6758 .2566 .0102 .0099 .0077 .0128 .0013 .0023 .0049 |
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Si(4) .5074 .9318 .2353 .0093 .0094 .0082 .0102 .0012 .0015 .0046 |
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K(1a) .1332 .2616 .9954 .871 .0451 |
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Na(1b) .097 .189 .997 .129 .0451 |
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Na .5 0 0 .441 .0137 .0207 .0111 .0076 .0033 .0018 .0029 |
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Ca .5 0 0 .059 .0137 .0207 .0111 .0076 .0033 .0018 .0029 |
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O(1) .7283 .3187 .3832 .0120 .0128 .0106 .0112 .0021 .0024 .0036 |
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O(2) .1484 .1599 .3686 .0129 .0130 .0107 .0104 .0016 .0005 .0012 |
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O(3) .1286 .3922 .5936 .0116 .0102 .0116 .0112 .0016 .0007 .0041 |
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OH(4) .2972 .4624 .3990 .0130 .0095 .0134 .0163 .0028 .0022 .0065 |
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OH(5) .9927 .1185 .5938 .0137 .0118 .0135 .0144 .0041 .0026 .0042 |
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O(6) .5572 .2579 .5913 .0122 .0110 .0118 .0124 .0020 .0017 .0045 |
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O(7) .5747 .0140 .3878 .0123 .0132 .0128 .0101 .0025 .0030 .0044 |
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O(8) .0744 .5919 .2027 .0156 .0096 .0184 .0154 .0002 .0018 .0057 |
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O(9) .2467 .0399 .8273 .0328 .0266 .0289 .0189 -.0175 .0110 -.0019 |
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O(10) .4284 .4134 .7983 .0154 .0119 .0202 .0160 .0080 .0021 .0076 |
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O(11) .1262 .8077 .8305 .0332 .0530 .0459 .0197 .0429 .0141 .0160 |
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O(12) .2631 .9572 .1717 .0318 .0433 .0309 .0160 .0283 -.0081 -.0025 |
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O(13) .2682 .6066 .8063 .0220 .0376 .0092 .0167 .0024 .0016 .0057 |
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O(14) .5720 .2215 .8020 .0218 .0368 .0112 .0174 .0038 .0045 .0077 |
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O(15) .3822 .1905 .1683 .0323 .0201 .0446 .0168 -.0186 -.0055 .0143 |
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F(16) 0 0 0 .50 .0163 .0163 .0156 .0182 .0059 .0048 .0074 |
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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
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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
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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 |
|
OH(4) .2974 .4619 .3998 .0128 .0110 .0126 .0153 .0039 .0027 .0060 |
|
OH(5) .9910 .1170 .5929 .0135 .0124 .0127 .0148 .0033 .0031 .0052 |
|
O(6) .5561 .2576 .5899 .0110 .0110 .0106 .0113 .0029 .0017 .0048 |
|
O(7) .5728 .01493 .3890 .0109 .0119 .0123 .0085 .0039 .0021 .0041 |
|
O(8) .0743 .5904 .2008 .0212 .0154 .0270 .0149 -.0025 .0041 .0067 |
|
O(9) .2474 .0410 .8284 .0302 .0218 .0309 .0161 -.0141 .0092 -.0015 |
|
O(10) .4275 .4146 .8003 .0211 .0235 .0267 .0158 .0173 .0029 .0064 |
|
O(11) .1283 .8085 .8314 .0297 .0469 .0426 .0166 .0391 .0132 .0139 |
|
O(12) .2644 .9569 .1702 .0290 .0369 .0296 .0169 .0264 -.0070 -.0007 |
|
O(13) .2673 .6080 .8069 .0223 .0418 .0090 .0140 .0028 .0037 .0055 |
|
O(14) .5718 .2208 .8025 .0231 .0437 .0104 .0160 .0044 .0055 .0081 |
|
O(15) .3824 .1901 .1667 .0298 .0164 .0435 .0165 -.0164 -.0043 .0145 |
|
F(16) 0 0 0 .50 .0137 .0166 .0142 .0093 .0043 .0019 .0041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: RUS9, nepheline syenite pegmatite |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0005807 |
|
5.4022 23.226 21.1782 90 95.246 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn(1) .2527 .39265 .00989 .913 .0105 .0094 .0088 .0134 0 .0017 -.0002 |
|
Na(1) .2527 .39265 .00989 .087 .0105 .0094 .0088 .0134 0 .0017 -.0002 |
|
Mn(2) .7461 .03613 -.00589 .990 .0111 .0092 .0086 .0158 -.0003 .0028 .0013 |
|
Mn(3) .7468 .17930 -.00728 .966 .0111 .0095 .0092 .0150 .0009 .0035 .0006 |
|
Mn(4) .25 .25 0 .431 .0109 .0095 .0091 .0140 .0002 .0006 -.0018 |
|
Mg(4) .25 .25 0 .069 .0109 .0095 .0091 .0140 .0002 .0006 -.0018 |
|
Ti -.4641 .10716 -.15196 .881 .0117 .0077 .0130 .0145 -.0005 .0012 -.0017 |
|
Nb -.4641 .10716 -.15196 .119 .0117 .0077 .0130 .0145 -.0005 .0012 -.0017 |
|
Si(1) .0417 .19281 -.13490 .0100 .0085 .0101 .0113 .0004 .0006 .0027 |
|
Si(2) .0391 .32547 -.12427 .0129 .0167 .0107 .0112 -.0003 .0011 .0001 |
|
Si(3) .9601 .11053 .12310 .0123 .0154 .0101 .0113 -.0007 .0013 .0006 |
|
Si(4) 1.0417 .02169 -.13312 .0098 .0114 .0075 .0105 .0001 .0011 .0002 |
|
K1 -.5 .24270 -.25 .50 .0451 .0568 .0495 .0285 0 .0020 0 |
|
K2 .5 -.02746 -.25 .50 .0425 .0579 .0416 .0280 0 .0031 0 |
|
Na -1.0 .10683 -.25 .301 .0162 .0266 .0142 .0075 0 .0005 0 |
|
Ca -1.0 .10683 -.25 .199 .0162 .0266 .0142 .0075 0 .0005 0 |
|
O(1) .0676 .1842 -.0582 .0107 .0109 .0121 .0088 -.0004 -.0005 -.0008 |
|
O(2) .5672 .1077 -.0655 .0117 .0117 .0119 .0113 -.0008 .0001 -.0001 |
|
O(3) .0672 .3234 -.0474 .0108 .0086 .0140 .0100 -.0012 .0014 -.0019 |
|
OH(4) -.0652 .2477 .0505 .0142 .0117 .0152 .0163 .0003 .0042 -.0036 |
|
OH(5) .4343 .0391 .0474 .0150 .0139 .0123 .0188 -.0007 .0023 -.0011 |
|
O(6) .9289 .1094 .0457 .0115 .0129 .0109 .0109 -.0014 .0017 -.0014 |
|
O(7) 1.0664 .0309 -.0563 .0119 .0126 .0127 .0104 -.0007 .0017 -.0010 |
|
O(8) .2753 .3593 -.1507 .0277 .0337 .0335 .0154 -.0174 .0004 .0012 |
|
O(9) -.7252 .0491 -.1645 .0289 .0315 .0385 .0179 -.0208 .0095 -.0058 |
|
O(10) -.2240 .3557 -.1510 .0291 .0339 .0360 .0174 .0207 .0027 .0041 |
|
O(11) .2749 .1660 -.1663 .0286 .0313 .0380 .0175 .0200 .0081 .0028 |
|
O(12) .7863 .0486 -.1655 .0289 .0296 .0353 .0203 .0207 -.0066 -.0059 |
|
O(13) .0367 .2615 -.1542 .0235 .0431 .0107 .0164 -.0007 .0008 -.0010 |
|
O(14) .9628 .0464 .1523 .0258 .0486 .0115 .0172 .0001 .0027 .0032 |
|
O(15) -.2133 .1660 -.1666 .0285 .0279 .0382 .0178 -.0195 -.0075 .0068 |
|
F(16) -.5 .1064 -.25 .50 .0220 .0222 .0264 .0172 0 .0002 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: RUS12, nepheline syenite pegmatite |
|
Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0005808 |
|
5.3925 11.9283 11.7256 113.044 94.840 103.064 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) |
|
Mn(1) .8500 .20620 .47875 .809 .0097 .0089 .0096 .0107 .0021 .0017 .0046 |
|
Na(1) .8500 .20620 .47875 .191 .0097 .0089 .0096 .0107 .0021 .0017 .0046 |
|
Mn(2) .27901 .06668 .48702 .974 .0111 .0103 .0113 .0125 .0030 .0030 .0057 |
|
Mn(3) .4223 .35220 .48391 .881 .0110 .0103 .0112 .0133 .0036 .0034 .0065 |
|
Mg(3) .4223 .35220 .48391 .119 .0110 .0103 .0112 .0133 .0036 .0034 .0065 |
|
Mn(4) 0 .5 .5 .299 .0097 .0090 .0088 .0105 .0017 .0010 .0038 |
|
Mg(4) 0 .5 .5 .201 .0097 .0090 .0088 .0105 .0017 .0010 .0038 |
|
Ti .0795 .08598 .19683 .948 .0085 .0069 .0094 .0093 .0021 .0012 .0041 |
|
Nb .0795 .08598 .19683 .052 .0085 .0069 .0094 .0093 .0021 .0012 .0041 |
|
Si(1) .6785 .27194 .23032 .0086 .0089 .0073 .0086 .0016 .0009 .0030 |
|
Si(2) .8128 .54570 .25292 .0101 .0119 .0085 .0093 .0015 .0011 .0040 |
|
Si(3) .3781 .67477 .25541 .0104 .0119 .0089 .0104 .0021 .0012 .0049 |
|
Si(4) .5081 .93072 .23432 .0088 .0091 .0092 .0086 .0021 .0012 .0048 |
|
K .1321 .2645 .9961 .885 .0365 |
|
Na .093 .186 .998 .115 .0365 |
|
Na .5 0 0 .322 .0140 .0192 .0122 .0083 .0025 .0006 .0035 |
|
Ca .5 0 0 .178 .0140 .0192 .0122 .0083 .0025 .0006 .0035 |
|
O(1) .7290 .3203 .3824 .0118 .0121 .0135 .0089 .0035 .0031 .0037 |
|
O(2) .1483 .1593 .3675 .0131 .0135 .0136 .0104 .0031 .0018 .0035 |
|
O(3) .1292 .3949 .5948 .0119 .0104 .0135 .0095 .0015 .0003 .0038 |
|
OH(4) .2935 .4627 .3980 .0142 .0132 .0146 .0147 .0036 .0031 .0062 |
|
OH(5) .9921 .1189 .5951 .0150 .0126 .0155 .0158 .0032 .0028 .0058 |
|
O(6) .5572 .2586 .5921 .0116 .0113 .0124 .0113 .0023 .0016 .0057 |
|
O(7) .5749 .0133 .3866 .0118 .0116 .0150 .0085 .0042 .0012 .0045 |
|
O(8) .0724 .5917 .2007 .0182 .0143 .0223 .0137 -.0019 .0020 .0072 |
|
O(9) .2460 .0417 .8296 .0250 .0215 .0246 .0158 -.0078 .0062 .0025 |
|
O(10) .4319 .4153 .7994 .0174 .0196 .0202 .0141 .0118 .0015 .0060 |
|
O(11) .1297 .8100 .8330 .0240 .0352 .0295 .0184 .0253 .0100 .0115 |
|
O(12) .2646 .9567 .1693 .0236 .0294 .0228 .0157 .0170 -.0072 .0023 |
|
O(13) .2665 .6074 .8089 .0186 .0292 .0102 .0136 .0016 .0014 .0050 |
|
O(14) .5721 .2222 .8031 .0195 .0314 .0109 .0175 .0041 .0048 .0084 |
|
O(15) .3807 .1906 .1672 .0241 .0159 .0310 .0167 -.0106 -.0037 .0119 |
|
F(16) 0 0 0 .50 .0049 .0037 .0067 .0052 .0031 .0003 .0027 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Astrophyllite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Note: sample US5 |
|
Locality: granitic pegmatite at Mount Rosa, Pikes Peak, Colorado, USA |
|
_database_code_amcsd 0005809 |
|
5.3627 11.851 11.668 113.040 94.523 103.093 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) |
|
Fe(1) .8493 .2055 .4801 .891 .0103 .0095 .0089 .0130 .0018 .0029 .0053 |
|
Na(1) .8493 .2055 .4801 .109 .0103 .0095 .0089 .0130 .0018 .0029 .0053 |
|
Fe(2) .2801 .06747 .4893 .0118 .0104 .0111 .0152 .0023 .0040 .0069 |
|
Fe(3) .4226 .35234 .4862 .0105 .0086 .0096 .0146 .0029 .0043 .0057 |
|
Fe(4) 0 .5 .5 .50 .0094 .0067 .0075 .0126 .0017 .0029 .0027 |
|
Ti .0786 .08633 .1981 .769 .0095 .0067 .0074 .0148 .0010 .0028 .0054 |
|
Nb .0786 .08633 .1981 .231 .0095 .0067 .0074 .0148 .0010 .0028 .0054 |
|
Si(1) .6771 .2719 .2330 .0125 .0130 .0122 .0125 .0038 .0028 .0054 |
|
Si(2) .8154 .5468 .2546 .0118 .0110 .0093 .0137 .0025 .0029 .0034 |
|
Si(3) .3807 .6757 .2573 .0118 .0128 .0111 .0123 .0028 .0019 .0063 |
|
Si(4) .5081 .9337 .2371 .0113 .0119 .0102 .0122 .0022 .0020 .0059 |
|
K .1315 .2640 .9962 .929 .0640 .0878 .0652 .0266 .0145 .0044 .0117 |
|
Rb .1315 .2640 .9962 .071 .0640 .0878 .0652 .0266 .0145 .0044 .0117 |
|
Na .5 0 0 .479 .0209 .0351 .0135 .0126 .0037 .0023 .0059 |
|
O(1) .7254 .3180 .3857 .0107 .0120 .0074 .0138 -.0004 .0009 .0077 |
|
O(2) .1471 .1615 .3730 .0119 .0114 .0090 .0155 -.0003 .0007 .0074 |
|
O(3) .1265 .3910 .5928 .0108 .0084 .0102 .0158 .0034 .0035 .0067 |
|
OH(4) .2982 .4625 .4010 .0115 .0157 .0071 .0140 .0035 .0022 .0065 |
|
OH(5) .9901 .1162 .5911 .0137 .0143 .0141 .0127 .0053 .0023 .0049 |
|
O(6) .5599 .2581 .5908 .0109 .0085 .0113 .0104 .0005 -.0009 .0038 |
|
O(7) .5733 .0165 .3898 .0117 .0110 .0115 .0095 .0001 -.0013 .0035 |
|
O(8) .0774 .5903 .2016 .0214 .0161 .0226 .0174 -.0005 .0025 .0035 |
|
O(9) .2452 .0410 .8252 .0447 .0345 .0445 .0139 -.0272 .0126 -.0103 |
|
O(10) .4263 .4128 .7979 .0226 .0197 .0258 .0198 .0054 -.0021 .0086 |
|
O(11) .1250 .8066 .8287 .0482 .0771 .0711 .0232 .0670 .0226 .0196 |
|
O(12) .2634 .9584 .1735 .0446 .0686 .0402 .0163 .0371 -.0205 -.0036 |
|
O(13) .2687 .6064 .8039 .0279 .0556 .0081 .0163 .0011 .0029 .0062 |
|
O(14) .5736 .2201 .7995 .0323 .0595 .0108 .0269 .0001 .0049 .0143 |
|
O(15) .3823 .1921 .1705 .0462 .0277 .0694 .0177 -.0321 -.0060 .0209 |
|
F(16) 0 0 0 .50 .0180 .0187 .0191 .0158 .0045 .0006 .0079 |
|
H(1) .27 .416 .309 .0406 |
|
H(1) .03 .143 .683 .0343 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Note: sample MSH2 |
|
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005810 |
|
5.3982 11.9534 11.7433 112.9903 94.8413 103.0664 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) |
|
Mn(1) .84974 .20565 .47864 .891 .0105 .0098 .0099 .0123 .0026 .0026 .0051 |
|
Na(1) .84974 .20565 .47864 .109 .0105 .0098 .0099 .0123 .0026 .0026 .0051 |
|
Mn(2) .27981 .06664 .48689 .994 .0117 .0109 .0113 .0141 .0033 .0038 .0062 |
|
Mn(3) .42217 .35146 .48358 .985 .0118 .0110 .0112 .0148 .0038 .0041 .0064 |
|
Mn(4) 0 .5 .5 .477 .0107 .0102 .0090 .0121 .0023 .0017 .0039 |
|
Mg(4) 0 .5 .5 .023 .0107 .0102 .0090 .0121 .0023 .0017 .0039 |
|
Ti .07888 .08599 .19615 .910 .0093 .0080 .0091 .0106 .0022 .0020 .0042 |
|
Nb .07888 .08599 .19615 .090 .0093 .0080 .0091 .0106 .0022 .0020 .0042 |
|
Si(1) .6782 .27155 .22990 .0091 .0096 .0078 .0086 .0015 .0012 .0028 |
|
Si(2) .8119 .54638 .25308 .0103 .0110 .0083 .0113 .0019 .0019 .0043 |
|
Si(3) .3770 .67531 .25548 .0103 .0111 .0093 .0114 .0023 .0025 .0053 |
|
Si(4) .5080 .93132 .23431 .0090 .0097 .0086 .0085 .0018 .0015 .0037 |
|
K .1320 .2634 .9950 .84 .0444 .0564 .0429 .0279 .0102 .0049 .0115 |
|
Na .1320 .2634 .9950 .16 .0444 .0564 .0429 .0279 .0102 .0049 .0115 |
|
Na .5 0 0 .309 .0132 .0190 .0112 .0080 .0026 .0013 .0037 |
|
Ca .5 0 0 .191 .0132 .0190 .0112 .0080 .0026 .0013 .0037 |
|
O(1) .7280 .3176 .3818 .0118 .0130 .0126 .0090 .0029 .0015 .0043 |
|
O(2) .1461 .1589 .3666 .0121 .0135 .0121 .0092 .0025 .0010 .0039 |
|
O(3) .1289 .3924 .5947 .0119 .0117 .0115 .0114 .0024 .0016 .0041 |
|
OH(4) .2977 .4629 .3974 .0142 .0149 .0136 .0138 .0038 .0017 .0057 |
|
OH(5) .9924 .1188 .5944 .0139 .0132 .0136 .0134 .0028 .0017 .0049 |
|
O(6) .5586 .2572 .5914 .0115 .0140 .0105 .0098 .0032 .0020 .0043 |
|
O(7) .5757 .0140 .3864 .0111 .0134 .0119 .0077 .0030 .0014 .0044 |
|
O(8) .0709 .5928 .2012 .0187 .0152 .0214 .0151 -.0009 .0043 .0063 |
|
O(9) .2472 .0414 .8297 .0220 .0174 .0240 .0139 -.0059 .0066 .0028 |
|
O(10) .4330 .4149 .7989 .0187 .0218 .0209 .0156 .0116 .0026 .0071 |
|
O(11) .1288 .8091 .8335 .0224 .0333 .0281 .0143 .0230 .0082 .0091 |
|
O(12) .2642 .9571 .1705 .0223 .0274 .0242 .0144 .0162 -.0032 .0039 |
|
O(13) .2658 .6068 .8068 .0188 .0300 .0109 .0136 .0022 .0026 .0054 |
|
O(14) .5721 .2214 .8029 .0185 .0293 .0104 .0149 .0024 .0040 .0064 |
|
O(15) .3811 .1910 .1664 .0219 .0131 .0283 .0166 -.0078 -.0023 .0101 |
|
F(16) 0 0 0 .50 .0143 .0180 .0137 .0095 .0036 .0015 .0038 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: MSH3 |
|
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005811 |
|
5.3887 11.913 11.751 112.961 94.746 103.117 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) |
|
Mn(1) .8503 .2060 .4786 .741 .0097 .0062 .0100 .0127 .0017 .0027 .0047 |
|
Na(1) .8503 .2060 .4786 .259 .0097 .0062 .0100 .0127 .0017 .0027 .0047 |
|
Mn(2) .2791 .06673 .48762 1.011 .0118 .0087 .0106 .0163 .0023 .0043 .0059 |
|
Mn(3) .4229 .35239 .48466 .996 .0107 .0081 .0115 .0145 .0029 .0046 .0069 |
|
Zn(4) 0 .5 .5 .383 .0107 .0077 .0106 .0129 .0016 .0027 .0043 |
|
Mg(4) 0 .5 .5 .117 .0107 .0077 .0106 .0129 .0016 .0027 .0043 |
|
Ti .0775 .08393 .19176 .624 .0104 .0047 .0099 .0181 .0019 .0037 .0073 |
|
Nb .0775 .08393 .19176 .376 .0104 .0047 .0099 .0181 .0019 .0037 .0073 |
|
Si(1) .6796 .2732 .2315 .0100 .0097 .0082 .0116 .0015 .0021 .0042 |
|
Si(2) .8142 .5465 .2537 .0102 .0088 .0080 .0147 .0017 .0030 .0057 |
|
Si(3) .3799 .6752 .2564 .0109 .0101 .0088 .0137 .0014 .0022 .0053 |
|
Si(4) .5077 .9308 .2356 .0103 .0087 .0123 .0106 .0017 .0036 .0058 |
|
K1 .1351 .2684 .9958 .833 .0454 |
|
K2 .110 .216 .998 .167 .0454 |
|
Na .5 0 0 .482 .0229 .0364 .0197 .0086 .0044 .0008 .0047 |
|
O(1) .7283 .3209 .3834 .0135 .0114 .0135 .0156 .0055 .0038 .0049 |
|
O(2) .1480 .1591 .3672 .0123 .0098 .0100 .0153 .0029 .0021 .0035 |
|
O(3) .1302 .3947 .5951 .0103 .0069 .0114 .0134 .0022 .0046 .0059 |
|
OH(4) .2935 .4625 .3988 .0150 .0152 .0106 .0230 .0049 .0051 .0099 |
|
OH(5) .9922 .1184 .5961 .0148 .0106 .0142 .0167 .0019 .0020 .0047 |
|
O(6) .5564 .2581 .5916 .0121 .0134 .0061 .0174 .0017 .0036 .0060 |
|
O(7) .5727 .0128 .3867 .0118 .0124 .0116 .0125 .0060 .0061 .0040 |
|
O(8) .0744 .5913 .2021 .0165 .0113 .0218 .0158 -.0008 .0030 .0101 |
|
O(9) .2444 .0417 .8270 .0312 .0227 .0304 .0183 -.0183 .0132 -.0003 |
|
O(10) .4293 .4150 .8002 .0173 .0180 .0218 .0153 .0110 .0057 .0078 |
|
O(11) .1264 .8074 .8299 .0315 .0489 .0460 .0191 .0418 .0151 .0163 |
|
O(12) .2627 .9565 .1715 .0339 .0467 .0286 .0195 .0310 -.0107 -.0047 |
|
O(13) .2643 .6070 .8085 .0247 .0395 .0132 .0152 .0034 .0042 .0021 |
|
O(14) .5724 .2225 .8029 .0232 .0405 .0130 .0166 .0044 .0067 .0082 |
|
O(15) .3834 .1933 .1691 .0337 .0195 .0478 .0193 -.0233 -.0068 .0193 |
|
F(16) 0 0 0 .50 .0197 .0134 .0281 .0223 .0082 .0070 .0137 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: MSH8 |
|
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005812 |
|
5.4203 11.9392 11.7229 113.0010 94.7348 103.1598 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) |
|
Mn(1) .85061 .20591 .47956 .863 .0120 .0102 .0107 .0156 .0027 .0026 .0063 |
|
Na(1) .85061 .20591 .47956 .137 .0120 .0102 .0107 .0156 .0027 .0026 .0063 |
|
Mn(2) .27913 .06742 .48742 .985 .0132 .0114 .0124 .0176 .0037 .0045 .0077 |
|
Mn(3) .42190 .35173 .48472 .974 .0133 .0119 .0125 .0184 .0047 .0050 .0084 |
|
Mn(4) 0 .5 .5 .482 .0115 .0094 .0093 .0150 .0024 .0015 .0047 |
|
Ti .07634 .08332 .19010 .553 .0133 .0086 .0131 .0196 .0037 .0032 .0081 |
|
Nb .07634 .08332 .19010 .447 .0133 .0086 .0131 .0196 .0037 .0032 .0081 |
|
Si(1) .6789 .27321 .23102 .0116 .0124 .0090 .0125 .0022 .0016 .0041 |
|
Si(2) .8129 .54654 .25206 .0142 .0177 .0099 .0145 .0026 .0019 .0057 |
|
Si(3) .3775 .67402 .25469 .0143 .0175 .0115 .0147 .0032 .0026 .0071 |
|
Si(4) .5066 .93042 .23529 .0116 .0134 .0107 .0112 .0029 .0021 .0057 |
|
K .1376 .2716 .9956 1.003 .0582 .0744 .0565 .0368 .0139 .0069 .0158 |
|
Na .5 0 0 .449 .0260 .0404 .0209 .0130 .0060 .0031 .0052 |
|
Ca .5 0 0 .051 .0260 .0404 .0209 .0130 .0060 .0031 .0052 |
|
O(1) .7277 .3191 .3833 .0141 .0140 .0148 .0120 .0027 .0017 .0050 |
|
O(2) .1467 .1597 .3680 .0158 .0140 .0174 .0144 .0033 .0023 .0058 |
|
O(3) .1300 .3930 .5952 .0142 .0146 .0117 .0149 .0026 .0005 .0055 |
|
OH(4) .2956 .4624 .3992 .0173 .0161 .0175 .0180 .0053 .0039 .0068 |
|
OH(5) .9932 .1177 .5937 .0179 .0170 .0194 .0188 .0063 .0037 .0089 |
|
O(6) .5586 .2580 .5914 .0145 .0154 .0141 .0129 .0024 .0011 .0058 |
|
O(7) .5727 .0131 .3874 .0139 .0152 .0137 .0124 .0040 .0018 .0052 |
|
O(8) .0715 .5912 .1997 .0300 .0271 .0320 .0193 -.0074 .0027 .0080 |
|
O(9) .2479 .0417 .8277 .0359 .0263 .0377 .0202 -.0169 .0096 .0016 |
|
O(10) .4299 .4155 .8006 .0302 .0429 .0310 .0195 .0216 .0012 .0083 |
|
O(11) .1274 .8063 .8316 .0362 .0578 .0508 .0195 .0453 .0153 .0167 |
|
O(12) .2634 .9559 .1718 .0349 .0481 .0356 .0192 .0317 -.0077 .0015 |
|
O(13) .2666 .6068 .8075 .0268 .0489 .0096 .0192 .0028 .0039 .0068 |
|
O(14) .5716 .2216 .8034 .0285 .0504 .0133 .0213 .0040 .0039 .0100 |
|
O(15) .3843 .1924 .1681 .0356 .0216 .0489 .0230 -.0168 -.0043 .0181 |
|
F(16) 0 0 0 .50 .0233 .0230 .0266 .0188 .0063 .0037 .0086 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: MSH9 |
|
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005813 |
|
5.3989 11.9528 11.7458 112.983 94.854 103.062 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) |
|
Mn(1) .8496 .20560 .47845 .860 .0090 .0076 .0091 .0114 .0027 .0025 .0051 |
|
Na(1) .8496 .20560 .47845 .140 .0090 .0076 .0091 .0114 .0027 .0025 .0051 |
|
Mn(2) .2797 .0666 .48678 .980 .0103 .0092 .0114 .0127 .0039 .0042 .0066 |
|
Mn(3) .4221 .35134 .48352 .973 .0106 .0093 .0115 .0139 .0041 .0041 .0071 |
|
Mn(4) 0 .5 .5 .474 .0092 .0071 .0090 .0105 .0017 .0014 .0037 |
|
Ti .0791 .08608 .19615 .929 .0081 .0049 .0098 .0101 .0020 .0016 .0048 |
|
Nb .0791 .08608 .19615 .071 .0081 .0049 .0098 .0101 .0020 .0016 .0048 |
|
Si(1) .6784 .2716 .2299 .0083 .0079 .0076 .0097 .0025 .0019 .0038 |
|
Si(2) .8118 .5464 .2528 .0101 .0105 .0098 .0107 .0030 .0018 .0048 |
|
Si(3) .3771 .6752 .2555 .0097 .0095 .0097 .0117 .0029 .0022 .0063 |
|
Si(4) .5077 .9312 .2343 .0082 .0085 .0082 .0091 .0021 .0021 .0048 |
|
K .1311 .2630 .9953 .90 .0493 .0508 .0623 .0265 .0151 .0048 .0113 |
|
Na .1311 .2630 .9953 .10 .0493 .0508 .0623 .0265 .0151 .0048 .0113 |
|
Na .5 0 0 .205 .0120 .0153 .0121 .0077 .0034 .0013 .0038 |
|
Ca .5 0 0 .295 .0120 .0153 .0121 .0077 .0034 .0013 .0038 |
|
O(1) .7279 .3175 .3817 .0108 .0106 .0130 .0094 .0039 .0027 .0048 |
|
O(2) .1461 .1585 .3667 .0117 .0137 .0126 .0092 .0042 .0038 .0043 |
|
O(3) .1282 .3922 .5945 .0107 .0089 .0139 .0094 .0031 .0015 .0050 |
|
OH(4) .2976 .4626 .3967 .0136 .0118 .0137 .0149 .0023 .0016 .0064 |
|
OH(5) .9913 .1190 .5947 .0129 .0113 .0138 .0141 .0035 .0034 .0063 |
|
O(6) .5585 .2579 .5917 .0098 .0087 .0092 .0113 .0020 .0003 .0046 |
|
O(7) .5757 .0136 .3865 .0114 .0112 .0134 .0094 .0059 .0030 .0031 |
|
O(8) .0694 .5924 .2004 .0184 .0162 .0199 .0168 -.0009 .0051 .0081 |
|
O(9) .2456 .0410 .8291 .0202 .0146 .0238 .0146 -.0044 .0067 .0049 |
|
O(10) .4342 .4164 .7995 .0174 .0203 .0217 .0143 .0126 .0032 .0082 |
|
O(11) .1290 .8094 .8337 .0198 .0258 .0274 .0145 .0199 .0081 .0098 |
|
O(12) .2621 .9567 .1704 .0193 .0240 .0210 .0116 .0142 -.0029 .0027 |
|
O(13) .2650 .6068 .8062 .0182 .0268 .0128 .0142 .0041 .0044 .0055 |
|
O(14) .5699 .2210 .8025 .0177 .0248 .0132 .0170 .0037 .0041 .0091 |
|
O(15) .3812 .1908 .1669 .0203 .0107 .0295 .0173 -.0062 -.0010 .0138 |
|
F(16) 0 0 0 .50 .0141 .0152 .0138 .0128 .0051 .0011 .0051 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: MSH15 |
|
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005814 |
|
5.4033 11.920 11.741 112.933 94.793 103.108 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) |
|
Mn(1) .8504 .20567 .4786 .87 .0118 .0104 .0103 .0165 .0034 .0040 .0071 |
|
Na(1) .8504 .20567 .4786 .13 .0118 .0104 .0103 .0165 .0034 .0040 .0071 |
|
Mn(2) .2790 .06700 .48714 1.014 .0135 .0121 .0132 .0182 .0047 .0055 .0084 |
|
Mn(3) .4220 .35166 .4839 .972 .0120 .0104 .0110 .0176 .0041 .0052 .0079 |
|
Mn(4) 0 .5 .5 .415 .0092 .0079 .0062 .0130 .0010 .0010 .0041 |
|
Mg(4) 0 .5 .5 .085 .0092 .0079 .0062 .0130 .0010 .0010 .0041 |
|
Ti .0773 .08376 .19167 .624 .0115 .0075 .0101 .0203 .0037 .0044 .0088 |
|
Nb .0773 .08376 .19167 .376 .0115 .0075 .0101 .0203 .0037 .0044 .0088 |
|
Si(1) .6794 .2729 .2312 .0098 .0112 .0081 .0121 .0033 .0039 .0057 |
|
Si(2) .8144 .5467 .2535 .0119 .0132 .0078 .0152 .0024 .0021 .0056 |
|
Si(3) .3792 .6750 .2563 .0119 .0138 .0098 .0155 .0040 .0039 .0083 |
|
Si(4) .5073 .9308 .2354 .0095 .0106 .0091 .0105 .0027 .0021 .0060 |
|
K .1337 .2667 .9957 .86 .0515 .0737 .0456 .0283 .0114 .0060 .0122 |
|
Na .1337 .2667 .9957 .14 .0515 .0737 .0456 .0283 .0114 .0060 .0122 |
|
Na .5 0 0 .44 .0267 .0434 .0220 .0146 .0082 .0026 .0088 |
|
Ca .5 0 0 .06 .0267 .0434 .0220 .0146 .0082 .0026 .0088 |
|
O(1) .7279 .3192 .3833 .0118 .0110 .0075 .0167 .0026 .0009 .0052 |
|
O(2) .1479 .1598 .3675 .0125 .0133 .0119 .0126 .0040 .0009 .0054 |
|
O(3) .1280 .3933 .5947 .0118 .0117 .0101 .0142 .0049 .0004 .0053 |
|
OH(4) .2958 .4637 .3999 .0135 .0156 .0118 .0139 .0060 .0035 .0050 |
|
OH(5) .9952 .1191 .5950 .0165 .0218 .0190 .0147 .0116 .0042 .0097 |
|
O(6) .5587 .2577 .5919 .0109 .0109 .0126 .0145 .0057 .0044 .0096 |
|
O(7) .5711 .0126 .3874 .0127 .0148 .0134 .0145 .0084 .0057 .0077 |
|
O(8) .0725 .5918 .2018 .0228 .0240 .0276 .0130 .0014 .0030 .0082 |
|
O(9) .2468 .0423 .8269 .0291 .0264 .0271 .0148 -.0160 .0124 .0006 |
|
O(10) .4281 .4139 .7999 .0212 .0223 .0247 .0181 .0133 .0029 .0070 |
|
O(11) .1276 .8071 .8312 .0312 .0523 .0387 .0216 .0394 .0184 .0154 |
|
O(12) .2615 .9554 .1723 .0364 .0488 .0393 .0224 .0377 -.0054 .0029 |
|
O(13) .2650 .6060 .8071 .0231 .0407 .0082 .0200 .0039 .0017 .0077 |
|
O(14) .5719 .2222 .8032 .0217 .0369 .0078 .0165 -.0024 .0029 .0065 |
|
O(15) .3834 .1930 .1693 .0326 .0206 .0461 .0235 -.0141 .0048 .0199 |
|
F(16) 0 0 0 .50 .0188 .0221 .0146 .0165 .0040 -.0001 .0048 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: MSH15a |
|
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005815 |
|
5.4039 11.9243 11.7394 112.942 94.732 103.135 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) |
|
Mn(1) .85042 .20571 .47890 .856 .0107 .0100 .0097 .0131 .0027 .0030 .0054 |
|
Na(1) .85042 .20571 .47890 .144 .0107 .0100 .0097 .0131 .0027 .0030 .0054 |
|
Mn(2) .27929 .06722 .48745 .996 .0115 .0104 .0110 .0147 .0034 .0044 .0064 |
|
Mn(3) .42199 .35176 .48450 .970 .0115 .0106 .0112 .0151 .0041 .0045 .0072 |
|
Mn(4) 0 .5 .5 .434 .0100 .0090 .0087 .0121 .0023 .0021 .0042 |
|
Mg(4) 0 .5 .5 .066 .0100 .0090 .0087 .0121 .0023 .0021 .0042 |
|
Ti .07738 .08381 .19158 .594 .0109 .0075 .0102 .0172 .0029 .0037 .0074 |
|
Nb .07738 .08381 .19158 .406 .0109 .0075 .0102 .0172 .0029 .0037 .0074 |
|
Si(1) .6792 .27308 .23175 .0100 .0118 .0074 .0096 .0017 .0020 .0031 |
|
Si(2) .8137 .54643 .25341 .0110 .0129 .0082 .0118 .0023 .0023 .0047 |
|
Si(3) .3792 .67483 .25600 .0110 .0128 .0092 .0120 .0026 .0026 .0058 |
|
Si(4) .5071 .93097 .23585 .0095 .0117 .0085 .0090 .0026 .0022 .0046 |
|
K .1350 .2679 .9958 .976 .0562 .0821 .0491 .0287 .0117 .0061 .0123 |
|
Na .5 0 0 .493 .0224 .0370 .0159 .0110 .0045 .0018 .0044 |
|
O(1) .7287 .3198 .3833 .0117 .0140 .0109 .0090 .0029 .0021 .0032 |
|
O(2) .1477 .1600 .3683 .0128 .0134 .0127 .0116 .0029 .0029 .0048 |
|
O(3) .1290 .3932 .5944 .0117 .0121 .0117 .0111 .0022 .0030 .0050 |
|
OH(4) .2957 .4628 .3996 .0147 .0159 .0148 .0129 .0036 .0035 .0057 |
|
OH(5) .9927 .1182 .5942 .0151 .0167 .0152 .0135 .0049 .0036 .0057 |
|
O(6) .5574 .2578 .5916 .0117 .0134 .0111 .0113 .0031 .0024 .0056 |
|
O(7) .5739 .0133 .3878 .0122 .0152 .0116 .0086 .0032 .0020 .0034 |
|
O(8) .0743 .5916 .2012 .0202 .0175 .0240 .0163 -.0008 .0051 .0090 |
|
O(9) .2460 .0415 .8268 .0361 .0305 .0361 .0171 -.0178 .0127 -.0007 |
|
O(10) .4278 .4143 .7993 .0211 .0242 .0242 .0162 .0136 .0027 .0062 |
|
O(11) .1258 .8060 .8301 .0370 .0639 .0514 .0162 .0500 .0166 .0149 |
|
O(12) .2648 .9571 .1723 .0365 .0539 .0370 .0164 .0367 -.0100 -.0010 |
|
O(13) .2665 .6068 .8069 .0237 .0462 .0088 .0144 .0033 .0035 .0059 |
|
O(14) .5715 .2216 .8029 .0250 .0479 .0102 .0152 .0037 .0051 .0064 |
|
O(15) .3839 .1926 .1692 .0364 .0231 .0507 .0169 -.0223 -.0063 .0154 |
|
F(16) 0 0 0 .50 .0185 .0202 .0188 .0153 .0047 .0033 .0064 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: MSH19a |
|
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005816 |
|
5.4206 11.9283 11.7294 112.942 94.645 103.246 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) |
|
Mn(1) .8507 .20565 .47928 .912 .0142 .0124 .0131 .0186 .0042 .0044 .0078 |
|
Na(1) .8507 .20565 .47928 .088 .0142 .0124 .0131 .0186 .0042 .0044 .0078 |
|
Mn(2) .2791 .06728 .48772 .986 .0153 .0132 .0150 .0207 .0049 .0061 .0094 |
|
Mn(3) .4220 .35164 .48418 .974 .0150 .0132 .0151 .0208 .0058 .0066 .0099 |
|
Fe(4) 0 .5 .5 .427 .0136 .0118 .0114 .0175 .0034 .0026 .0060 |
|
Mg(4) 0 .5 .5 .073 .0136 .0118 .0114 .0175 .0034 .0026 .0060 |
|
Ti .07749 .08461 .19302 .646 .0164 .0114 .0173 .0228 .0052 .0048 .0100 |
|
Nb .07749 .08461 .19302 .354 .0164 .0114 .0173 .0228 .0052 .0048 .0100 |
|
Si(1) .6794 .27273 .2310 .0143 .0155 .0126 .0143 .0039 .0026 .0053 |
|
Si(2) .8131 .54714 .2532 .0176 .0221 .0128 .0172 .0036 .0033 .0066 |
|
Si(3) .3776 .6745 .2558 .0177 .0218 .0151 .0184 .0048 .0043 .0095 |
|
Si(4) .5050 .93074 .2357 .0145 .0158 .0141 .0156 .0047 .0038 .0081 |
|
K .1389 .2695 .9957 .979 .0602 .0761 .0589 .0392 .0133 .0076 .0179 |
|
Na .5 0 0 .417 .0331 .0501 .0276 .0193 .0100 .0039 .0088 |
|
Ca .5 0 0 .083 .0331 .0501 .0276 .0193 .0100 .0039 .0088 |
|
O(1) .7275 .3184 .3830 .0169 .0173 .0195 .0142 .0048 .0034 .0075 |
|
O(2) .1483 .1610 .3708 .0186 .0160 .0218 .0192 .0061 .0040 .0092 |
|
O(3) .1288 .3919 .5941 .0162 .0172 .0158 .0161 .0044 .0045 .0072 |
|
OH(4) .2970 .4627 .4003 .0207 .0197 .0234 .0206 .0083 .0062 .0094 |
|
OH(5) .9924 .1175 .5930 .0211 .0204 .0235 .0204 .0081 .0047 .0091 |
|
O(6) .5602 .2577 .5911 .0167 .0186 .0171 .0162 .0048 .0038 .0091 |
|
O(7) .5724 .0137 .3879 .0176 .0186 .0180 .0163 .0057 .0039 .0070 |
|
O(8) .0738 .5918 .2008 .0367 .0348 .0401 .0219 -.0082 .0050 .0099 |
|
O(9) .2500 .0409 .8277 .0408 .0316 .0429 .0250 -.0149 .0114 .0039 |
|
O(10) .4297 .4140 .7992 .0371 .0544 .0366 .0227 .0272 .0030 .0079 |
|
O(11) .1232 .8043 .8305 .0415 .0647 .0598 .0232 .0516 .0209 .0198 |
|
O(12) .2614 .9557 .1726 .0420 .0531 .0432 .0268 .0352 -.0092 .0031 |
|
O(13) .2680 .6058 .8061 .0321 .0570 .0119 .0233 .0034 .0041 .0074 |
|
O(14) .5716 .2218 .8024 .0326 .0588 .0157 .0247 .0059 .0085 .0124 |
|
O(15) .3857 .1908 .1676 .0409 .0246 .0566 .0277 -.0174 -.0034 .0213 |
|
F(16) 0 0 0 .50 .0274 .0279 .0302 .0232 .0084 .0048 .0103 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: MSH20 |
|
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005817 |
|
5.3879 11.9263 11.7136 113.049 94.832 103.077 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) |
|
Mn(1) .84993 .20629 .47899 .873 .0102 .0087 .0099 .0129 .0026 .0029 .0056 |
|
Na(1) .84993 .20629 .47899 .127 .0102 .0087 .0099 .0129 .0026 .0029 .0056 |
|
Mn(2) .27976 .06671 .48719 .999 .0109 .0090 .0111 .0143 .0033 .0041 .0065 |
|
Mn(3) .42275 .35210 .48419 .992 .0110 .0095 .0109 .0150 .0039 .0045 .0071 |
|
Zn(4) 0 .5 .5 .348 .0106 .0088 .0100 .0129 .0023 .0020 .0050 |
|
Mg(4) 0 .5 .5 .152 .0106 .0088 .0100 .0129 .0023 .0020 .0050 |
|
Ti .07958 .08624 .19722 .0074 .0057 .0086 .0086 .0021 .0018 .0041 |
|
Si(1) .6786 .27147 .23011 .0089 .0087 .0089 .0092 .0024 .0017 .0040 |
|
Si(2) .8117 .54570 .25240 .0100 .0100 .0086 .0116 .0021 .0019 .0049 |
|
Si(3) .3771 .67495 .25508 .0100 .0104 .0093 .0117 .0026 .0024 .0057 |
|
Si(4) .5076 .93128 .23425 .0086 .0090 .0085 .0091 .0026 .0020 .0044 |
|
K .1338 .2648 .9957 .91 .0417 .0517 .0434 .0247 .0102 .0047 .0113 |
|
Na .1338 .2648 .9957 .09 .0417 .0517 .0434 .0247 .0102 .0047 .0113 |
|
Na .5 0 0 .295 .0129 .0176 .0119 .0084 .0034 .0017 .0042 |
|
Ca .5 0 0 .205 .0129 .0176 .0119 .0084 .0034 .0017 .0042 |
|
O(1) .7289 .3189 .3822 .0117 .0115 .0129 .0094 .0034 .0011 .0038 |
|
O(2) .1468 .1592 .3669 .0124 .0121 .0130 .0110 .0029 .0021 .0044 |
|
O(3) .1294 .3937 .5953 .0118 .0108 .0114 .0132 .0026 .0030 .0054 |
|
OH(4) .2943 .4629 .3984 .0137 .0136 .0134 .0135 .0033 .0019 .0054 |
|
OH(5) .9913 .1188 .5947 .0144 .0141 .0142 .0145 .0044 .0025 .0056 |
|
O(6) .5583 .2580 .5920 .0110 .0113 .0101 .0109 .0023 .0019 .0041 |
|
O(7) .5752 .0138 .3867 .0108 .0103 .0116 .0098 .0034 .0031 .0036 |
|
O(8) .0710 .5921 .1999 .0191 .0127 .0237 .0173 -.0019 .0039 .0086 |
|
O(9) .2469 .0413 .8300 .0233 .0174 .0263 .0154 -.0066 .0080 .0038 |
|
O(10) .4326 .4159 .8004 .0188 .0213 .0216 .0148 .0128 .0027 .0056 |
|
O(11) .1276 .8089 .8326 .0231 .0330 .0310 .0162 .0252 .0096 .0111 |
|
O(12) .2624 .9564 .1700 .0224 .0273 .0236 .0147 .0179 -.0029 .0020 |
|
O(13) .2659 .6078 .8080 .0193 .0320 .0104 .0147 .0033 .0036 .0062 |
|
O(14) .5704 .2214 .8034 .0207 .0335 .0114 .0175 .0033 .0047 .0080 |
|
O(15) .3825 .1906 .1667 .0233 .0136 .0329 .0149 -.0091 -.0007 .0107 |
|
F(16) 0 0 0 .50 .0143 .0167 .0166 .0082 .0033 .0005 .0048 |
|
H(1) .25 .422 .306 .0826 |
|
H(2) 1.059 .154 .686 .0252 |
|
|
| 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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| |
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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: 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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Astrophyllite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
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 AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: MSH38a |
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Locality: altered nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
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_database_code_amcsd 0005820 |
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5.4028 11.9178 11.7000 113.036 94.671 103.163 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) .85031 .20574 .47956 .897 .0119 .0108 .0111 .0141 .0033 .0030 .0053 |
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Na(1) .85031 .20574 .47956 .103 .0119 .0108 .0111 .0141 .0033 .0030 .0053 |
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Mn(2) .27958 .06735 .48803 .995 .0131 .0115 .0131 .0162 .0043 .0047 .0069 |
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Mn(3) .42231 .35200 .48492 .985 .0132 .0123 .0127 .0167 .0050 .0051 .0072 |
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Mn(4) 0 .5 .5 .489 .0115 .0101 .0099 .0137 .0028 .0019 .0042 |
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Ti .07825 .08504 .19447 .787 .0125 .0090 .0125 .0168 .0039 .0035 .0063 |
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Nb .07825 .08504 .19447 .213 .0125 .0090 .0125 .0168 .0039 .0035 .0063 |
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Si(1) .6785 .27211 .23113 .0119 .0130 .0101 .0116 .0030 .0023 .0036 |
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Si(2) .8132 .54620 .25257 .0140 .0169 .0105 .0135 .0028 .0023 .0047 |
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Si(3) .3783 .67446 .25518 .0141 .0171 .0118 .0137 .0037 .0028 .0060 |
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Si(4) .5058 .93099 .23521 .0118 .0135 .0115 .0112 .0036 .0027 .0055 |
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K .1365 .2679 .9958 .91 .0527 .0710 .0491 .0319 .0130 .0067 .0136 |
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Na .1365 .2679 .9958 .09 .0527 .0710 .0491 .0319 .0130 .0067 .0136 |
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Na .5 0 0 .386 .0256 .0394 .0204 .0138 .0070 .0030 .0053 |
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Ca .5 0 0 .114 .0256 .0394 .0204 .0138 .0070 .0030 .0053 |
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O(1) .7265 .3182 .3835 .0144 .0146 .0147 .0115 .0028 .0018 .0038 |
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O(2) .1475 .1603 .3699 .0154 .0159 .0149 .0122 .0034 .0026 .0029 |
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O(3) .1295 .3924 .5948 .0138 .0150 .0136 .0117 .0034 .0024 .0045 |
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OH(4) .2970 .4624 .3998 .0177 .0181 .0182 .0165 .0060 .0041 .0062 |
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OH(5) .9924 .1178 .5938 .0177 .0191 .0179 .0165 .0071 .0046 .0064 |
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O(6) .5592 .2579 .5915 .0146 .0168 .0142 .0122 .0041 .0026 .0051 |
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O(7) .5728 .0142 .3883 .0140 .0160 .0135 .0113 .0045 .0018 .0039 |
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O(8) .0734 .5909 .1999 .0286 .0264 .0313 .0178 -.0041 .0040 .0067 |
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O(9) .2494 .0408 .8281 .0354 .0289 .0377 .0190 -.0124 .0107 .0017 |
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O(10) .4297 .4146 .8005 .0286 .0395 .0308 .0180 .0218 .0045 .0066 |
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O(11) .1259 .8068 .8315 .0364 .0581 .0479 .0214 .0458 .0163 .0146 |
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O(12) .2642 .9567 .1711 .0364 .0475 .0362 .0212 .0314 -.0087 0 |
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O(13) .2681 .6070 .8071 .0266 .0478 .0111 .0177 .0033 .0037 .0060 |
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O(14) .5720 .2217 .8032 .0277 .0499 .0137 .0189 .0053 .0065 .0084 |
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O(15) .3843 .1910 .1674 .0364 .0232 .0487 .0218 -.0178 -.0035 .0162 |
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F(16) 0 0 0 .50 .0217 .0228 .0230 .0153 .0048 .0017 .0053 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Niobokupletskite |
| |
Piilonen P C, McDonald A M, Lalonde A E |
|
The Canadian Mineralogist 41 (2003) 27-54 |
|
Insights into astrophyllite-group minerals II: Crystal chemistry |
|
Sample: MSH42 |
|
Locality: nepheline syenite pegmatite at Mont Saint-Hilaire, Quebec, Canada |
|
_database_code_amcsd 0005821 |
|
5.4303 11.924 11.747 112.927 94.750 103.175 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) .8511 .2057 .4794 .91 .0106 .0026 .0138 .0163 .0031 .0027 .0067 |
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Na .8511 .2057 .4794 .09 .0106 .0026 .0138 .0163 .0031 .0027 .0067 |
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Mn(2) .2790 .0680 .4871 .90 .0115 .0038 .0164 .0174 .0039 .0044 .0091 |
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Zn(2) .2790 .0680 .4871 .10 .0115 .0038 .0164 .0174 .0039 .0044 .0091 |
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Mn(3) .4211 .3512 .4844 .85 .0119 .0043 .0154 .0185 .0035 .0043 .0088 |
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Zn(3) .4211 .3512 .4844 .15 .0119 .0043 .0154 .0185 .0035 .0043 .0088 |
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Mn(4) 0 .5 .5 .33 .0110 .0013 .0131 .0166 -.0004 .0020 .0055 |
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Zn(4) 0 .5 .5 .17 .0110 .0013 .0131 .0166 -.0004 .0020 .0055 |
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Nb .0749 .0818 .1865 .90 .0100 .0004 .0133 .0178 .0026 .0037 .0077 |
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Ti .0749 .0818 .1865 .10 .0100 .0004 .0133 .0178 .0026 .0037 .0077 |
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Si(1) .6786 .2745 .2314 .0120 .0068 .0186 .0154 .0060 .0045 .0103 |
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Si(2) .8133 .5470 .2526 .0122 .0095 .0136 .0146 .0024 .0023 .0076 |
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Si(3) .3765 .6737 .2552 .0133 .0089 .0167 .0149 .0018 .0009 .0084 |
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Si(4) .5070 .9296 .2362 .0103 .0049 .0108 .0139 .0018 .0021 .0047 |
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K(1a) .097 .278 .995 .41 .0433 |
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K(1b) .164 .2754 .9956 .48 .0433 |
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Rb(1b) .164 .2754 .9956 .065 .0433 |
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Na .5 0 0 .45 .0179 .0148 .0200 .0147 .0033 -.0011 .0046 |
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O(1) .728 .3194 .3832 .0126 .0028 .0226 .0165 .0073 .0033 .0102 |
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O(2) .146 .1600 .3682 .0158 .0134 .0167 .0176 .0045 .0021 .0074 |
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O(3) .130 .3931 .5949 .0088 |
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OH(4) .295 .4631 .3991 .0134 .0102 .0210 .0146 .0114 .0074 .0084 |
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OH(5) .993 .1179 .5944 .0139 .0104 .0133 .0142 .0013 .0067 .0023 |
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O(6) .559 .2576 .5915 .0096 .0024 .0161 .0107 .0019 .0024 .0060 |
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O(7) .573 .0134 .3865 .0102 .0037 .0074 .0184 -.0011 0 .0061 |
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O(8) .072 .5915 .2004 .0235 .0184 .0284 .0222 .0036 .0131 .0091 |
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O(9) .250 .043 .8260 .0486 .0268 .0597 .0210 -.0337 .0051 .0030 |
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O(10) .433 .4144 .7988 .0254 .0215 .0359 .0186 .0116 .0022 .0098 |
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O(11) .129 .803 .8297 .0434 .0683 .0595 .0238 .0534 .0022 .0182 |
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O(12) .267 .954 .1723 .0498 .0709 .0516 .0185 .0526 -.0189 -.0078 |
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O(13) .266 .6062 .8075 .0266 .0508 .0106 .0140 .0077 .0035 .0018 |
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O(14) .571 .2206 .8024 .0311 .0568 .0088 .0206 -.0014 .0029 .0058 |
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O(15) .385 .197 .1693 .0431 .0308 .0559 .0240 -.0247 -.0056 .0202 |
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O(16) 0 0 0 .50 .0172 .0076 .0277 .0213 .0096 .0065 .0121 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, LaLonde A E |
| |
European Journal of Mineralogy 13 (2001) 973-984 |
|
Kupletskite polytypes from the Lovozero massif, Kola Peninsula, |
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Russia: Kupletskite-1A and kupletskite-Ma2b2c |
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Sample: Kupletskite-1A |
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Locality: Lovozero massif, Kola Peninsula, Russia |
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_database_code_amcsd 0006907 |
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5.3925 11.9283 11.7256 113.044 94.840 103.064 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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K1a .1321 .2645 .9961 .885 .0365 |
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K1b .093 .186 .998 .115 .0365 |
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Na .5 0 0 .644 .0140 .0192 .0122 .0083 .0025 .0006 .0035 |
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Ca .5 0 0 .356 .0140 .0192 .0122 .0083 .0025 .0006 .0035 |
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Mn1 .8500 .20620 .47875 .809 .0097 .0089 .0096 .0107 .0021 .0017 .0046 |
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Na1 .8500 .20620 .47875 .191 .0097 .0089 .0096 .0107 .0021 .0017 .0046 |
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Mn2 .27901 .06668 .48702 .974 .0111 .0103 .0113 .0125 .0030 .0030 .0057 |
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Mn3 .4223 .35220 .48391 .881 .0110 .0103 .0112 .0133 .0036 .0034 .0065 |
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Mg3 .4223 .35220 .48391 .119 .0110 .0103 .0112 .0133 .0036 .0034 .0065 |
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Mn4 0 .5 .5 .598 .0097 .0090 .0088 .0105 .0017 .0010 .0038 |
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Fe4 0 .5 .5 .401 .0097 .0090 .0088 .0105 .0017 .0010 .0038 |
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Ti .0795 .08598 .19683 .948 .0085 .0069 .0094 .0093 .0021 .0012 .0041 |
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Nb .0795 .08598 .19683 .052 .0085 .0069 .0094 .0093 .0021 .0012 .0041 |
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Si1 .6785 .27194 .23032 .0086 .0089 .0073 .0086 .0016 .0009 .0030 |
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Si2 .8128 .54570 .25292 .0101 .0119 .0085 .0093 .0015 .0011 .0040 |
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Si3 .3781 .67477 .25541 .0104 .0119 .0089 .0104 .0021 .0012 .0049 |
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Si4 .5081 .93072 .23432 .0088 .0091 .0092 .0086 .0021 .0012 .0048 |
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O1 .7290 .3203 .3824 .0118 .0121 .0135 .0089 .0035 .0031 .0037 |
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O2 .1483 .1593 .3675 .0131 .0135 .0136 .0104 .0031 .0018 .0035 |
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O3 .1292 .3949 .5948 .0119 .0104 .0135 .0095 .0015 .0003 .0038 |
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OH4 .2935 .4627 .3980 .0142 .0132 .0146 .0147 .0036 .0031 .0062 |
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OH5 .9921 .1189 .5951 .0150 .0126 .0155 .0158 .0032 .0028 .0058 |
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O6 .5572 .2586 .5921 .0116 .0113 .0124 .0113 .0023 .0016 .0057 |
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O7 .5749 .0133 .3866 .0118 .0116 .0150 .0085 .0042 .0012 .0045 |
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O8 .0724 .5917 .2007 .0182 .0143 .0223 .0137 -.0019 .0020 .0072 |
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O9 .2460 .0417 .8296 .0250 .0215 .0246 .0158 -.0078 .0062 .0025 |
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O10 .4319 .4153 .7994 .0174 .0196 .0202 .0141 .0118 .0015 .0060 |
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O11 .1297 .8100 .8330 .0240 .0352 .0295 .0184 .0253 .0100 .0115 |
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O12 .2646 .9567 .1693 .0236 .0294 .0228 .0157 .0170 -.0072 .0023 |
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O13 .2665 .6074 .8089 .0186 .0292 .0102 .0136 .0016 .0014 .0050 |
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O14 .5721 .2222 .8031 .0195 .0314 .0109 .0175 .0041 .0048 .0084 |
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O15 .3807 .1906 .1672 .0241 .0159 .0310 .0167 -.0106 -.0037 .0119 |
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F16 0 0 0 .0049 .0037 .0067 .0052 .0031 .0003 .0027 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kupletskite |
|
Piilonen P C, McDonald A M, LaLonde A E |
| |
European Journal of Mineralogy 13 (2001) 973-984 |
|
Kupletskite polytypes from the Lovozero massif, Kola Peninsula, |
|
Russia: Kupletskite-1A and kupletskite-Ma2b2c |
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Sample: Kupletskite-Ma2b2c |
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Locality: Lovozero massif, Kola Peninsula, Russia |
|
_database_code_amcsd 0006908 |
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5.4022 23.226 21.1782 90 95.246 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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K1 -.5 .24270 -.25 .0451 .0568 .0495 .0285 0 .0020 0 |
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K2 .5 -.02746 -.25 .0425 .0579 .0416 .0280 0 .0031 0 |
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Na 0 .10683 -.25 .602 .0162 .0266 .0142 .0075 0 .0005 0 |
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Ca 0 .10683 -.25 .398 .0162 .0266 .0142 .0075 0 .0005 0 |
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Mn1 .2527 .39265 .00989 .913 .0105 .0094 .0088 .0134 .0000 .0017 -.0002 |
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Na1 .2527 .39265 .00989 .087 .0105 .0094 .0088 .0134 .0000 .0017 -.0002 |
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Mn2 .7461 .03613 -.00589 .990 .0111 .0092 .0086 .0158 -.0003 .0028 .0013 |
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Mn3 .7468 .17930 -.00728 .966 .0111 .0095 .0092 .0150 .0009 .0035 .0006 |
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Mn4 .25 .25 0 .862 .0109 .0095 .0091 .0140 .0002 .0006 -.0018 |
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Mg4 .25 .25 0 .138 .0109 .0095 .0091 .0140 .0002 .0006 -.0018 |
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Ti -.4641 .10716 -.15196 .881 .0117 .0077 .0130 .0145 -.0005 .0012 -.0017 |
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Nb -.4641 .10716 -.15196 .119 .0117 .0077 .0130 .0145 -.0005 .0012 -.0017 |
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Si1 .0417 .19281 -.13490 .0100 .0085 .0101 .0113 .0004 .0006 .0027 |
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Si2 .0391 .32547 -.12427 .0129 .0167 .0107 .0112 -.0003 .0011 .0001 |
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Si3 .9601 .11053 .12310 .0123 .0154 .0101 .0113 -.0007 .0013 .0006 |
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Si4 .0417 .02169 -.13312 .0098 .0114 .0075 .0105 .0001 .0011 .0002 |
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O1 .0676 .1842 -.0582 .0107 .0109 .0121 .008 -.0004 -.0005 -.0008 |
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O2 .5672 .1077 -.0655 .0117 .0117 .0119 .0113 -.0008 .0001 -.0001 |
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O3 .0672 .3234 -.0474 .0108 .0086 .0140 .0100 -.0012 .0014 -.0019 |
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OH4 -.0652 .2477 .0505 .0142 .0117 .0152 .0163 .0003 .0042 -.0036 |
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OH5 .4343 .0391 .0474 .0150 .0139 .0123 .0188 -.0007 .0023 -.0011 |
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O6 .9289 .1094 .0457 .0115 .0129 .0109 .0109 -.0014 .0017 -.0014 |
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O7 .0664 .0309 -.0563 .0119 .0126 .0127 .0104 -.0007 .0017 -.0010 |
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O8 .2753 .3593 -.1507 .0277 .0337 .0335 .0154 -.0174 .0004 .0012 |
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O9 -.7252 .0491 -.1645 .0289 .0315 .0385 .0179 -.0208 .0095 -.0058 |
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O10 -.2240 .3557 -.1510 .0291 .0339 .0360 .0174 .0207 .0027 .0041 |
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O11 .2749 .1660 -.1663 .0286 .0313 .0380 .0175 .0200 .0081 .0028 |
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O12 .7863 .0486 -.1655 .0289 .0296 .0353 .0203 .0207 -.0066 -.0059 |
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O13 .0367 .2615 -.1542 .0235 .0431 .0107 .0164 -.0007 .0008 -.0010 |
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O14 .9628 .0464 .1523 .0258 .0486 .0115 .0172 .0001 .0027 .0032 |
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O15 -.2133 .1660 -.1666 .0285 .0279 .0382 .0178 -.0195 -.0075 .0068 |
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F16 -.5 .1064 -.25 .0220 .0222 .0264 .0172 0 .0002 0 |
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View JMOL 3-D Structure
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Arisite-(La) |
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Piilonen P C, McDonald A M, Grice J D, Cooper M A, Kolitsch U, |
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Rowe R, Gault R A, Poirier G |
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Mineralogical Magazine 74 (2010) 257-268 |
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Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia), |
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with descriptions of the crystal structures of arisite-(La) and arisite-(Ce) |
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Locality: Aris, Namibia |
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Note: x-coordinate of O1 adjusted to special position |
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_database_code_amcsd 0014599 |
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5.1131 5.1131 8.6759 90 90 120 P-6m2 |
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atom x y z occ Uiso |
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Na 0 0 0 .014 |
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La 2/3 1/3 .72574 .45 .011 |
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Ce 2/3 1/3 .72574 .42 .011 |
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Nd 2/3 1/3 .72574 .04 .011 |
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Pr 2/3 1/3 .72574 .01 .011 |
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Sm 2/3 1/3 .72574 .01 .011 |
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Ca 2/3 1/3 .72574 .07 .011 |
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C1 1/3 2/3 .804 .012 |
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O1 .628 .814 .8013 .019 |
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F 2/3 1/3 0 .032 |
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C2 0 0 .5 .63 .044 |
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O2 .847 .153 .5 .63 .025 |
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F2 .847 .153 .5 .24 .025 |
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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
|
| |
|
Arisite-(Ce) |
| |
Piilonen P C, McDonald A M, Grice J D, Cooper M A, Kolitsch U, |
|
Rowe R, Gault R A, Poirier G |
| |
Mineralogical Magazine 74 (2010) 257-268 |
|
Arisite-(La), a new REE-fluorcarbonate mineral from the Aris phonolite (Namibia), |
|
with descriptions of the crystal structures of arisite-(La) and arisite-(Ce) |
|
Locality: Aris, Namibia |
|
Note: x-coordinate of O1 adjusted to special position |
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_database_code_amcsd 0014600 |
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5.1109 5.1109 8.6713 90 90 120 P-6m2 |
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atom x y z occ Uiso |
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Na 0 0 0 .013 |
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Ce 2/3 1/3 .72542 .47 .012 |
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La 2/3 1/3 .72542 .40 .012 |
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Pr 2/3 1/3 .72542 .02 .012 |
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Nd 2/3 1/3 .72542 .05 .012 |
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Sm 2/3 1/3 .72542 .01 .012 |
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Ca 2/3 1/3 .72542 .05 .012 |
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C1 1/3 2/3 .805 .013 |
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O1 .6252 .8126 .8013 .017 |
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F 2/3 1/3 0 .031 |
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C2 0 0 .5 .70 .033 |
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O2 .8475 .1525 .5 .70 .026 |
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F2 .8475 .1525 .5 .20 .026 |
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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
|
| |
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