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IMA2008-065 |
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Ballirano P, Bonaccorsi E, Merlino S |
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The Canadian Mineralogist 36 (1998) 1285-1292 |
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Carbonate groups in davyne: Structural and crystal-chemical considerations |
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_database_code_amcsd 0005578 |
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12.6916 12.6916 5.3333 90 90 120 P6_3 |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si .32745 .40795 .746 .0066 .0082 .0097 .0040 .0004 .0006 |
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Al .06911 .40807 .746 .0077 .0084 .0095 .0047 .0003 .0004 |
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O1 .2138 .4297 .717 .0117 .0267 .0437 .0140 .0044 .0108 |
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O2 .0977 .5557 .741 .0195 .0103 .0225 .0089 .0001 .0000 |
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O3 .0030 .3254 .018 .0274 .0201 .0193 .0164 .0139 .0085 |
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O4 .3147 .3354 .001 .0183 .0204 .0160 .0064 -.0050 .0072 |
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Ca 2/3 1/3 .218 .0148 .0148 .0256 .0074 0 0 |
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Cl .336 .650 .221 .33 .1357 .1119 .0211 .0849 -.0283 -.0247 |
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NaM1 .1179 .2459 .288 .43 .0209 .0432 .0381 .0222 .0048 -.0041 |
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CaM1 .1179 .2459 .288 .10 .0209 .0432 .0381 .0222 .0048 -.0041 |
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NaM2 .119 .234 .219 .22 .0337 .0715 .0357 .0423 .0094 -.0071 |
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CaM2 .119 .234 .219 .05 .0337 .0715 .0357 .0423 .0094 -.0071 |
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NaM3 .154 .316 .260 .16 .0549 .1622 .0344 .0840 -.0046 -.0066 |
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CaM3 .154 .316 .260 .04 .0549 .1622 .0344 .0840 -.0046 -.0066 |
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C1 0 0 .167 .29 |
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OC1 .114 .059 .167 .29 .0222 .0276 .1200 .0120 -.0013 -.0178 |
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C2 0 0 .380 .10 |
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OC2 .118 .060 .380 .19 .0222 .0276 .1200 .0120 -.0013 -.0178 |
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S 0 0 .266 .09 |
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OS 0 0 .98 .09 |
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Cl1 .014 .059 .08 .048 |
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