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Whiteite-(CaFeMg) |
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Capitelli F, Chita G, Cavallo A, Bellatreccia F, Ventura G |
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Zeitschrift fur Kristallographie 226 (2011) 731-738 |
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Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada |
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Locality: Crosscut Creek, Yukon, Canada |
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_database_code_amcsd 0019137 |
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14.8700 6.9785 9.9268 90 110.110 90 P2/a |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaX .25 -.02734 0 .95 .0214 .0209 .0120 .0235 0 -.0023 0 |
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NaX .25 -.02734 0 .11 .0214 .0209 .0120 .0235 0 -.0023 0 |
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FeM1 .25 .47421 0 .900 .01315 .0137 .0128 .0132 0 .00495 0 |
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MgM2 .25 .49738 .5 1.005 .0138 .0143 .0147 .0128 0 .0052 0 |
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MgM2 .5 0 .5 1.005 .0145 .0143 .0137 .0145 -.0005 .0036 -.0032 |
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AlM3 0 0 0 1.024 .01103 .0108 .0098 .0125 -.0001 .0040 -.0005 |
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AlM3 0 .5 0 1.024 .01178 .0113 .0110 .0132 .0002 .0046 .0009 |
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P1 .18055 .26402 .18581 .01164 .0110 .0126 .0108 .00045 .00318 -.00027 |
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P2 .07936 .74556 .80031 .01090 .0111 .0115 .0104 .00069 .00418 .00077 |
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O1 .27407 .2383 .15106 .0212 .0147 .0296 .0209 .0072 .0080 .0047 |
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O2 .20254 .29773 .34383 .0193 .0259 .0187 .0122 -.0016 .0052 -.0017 |
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O3 .12060 .08277 .13629 .0207 .0210 .0130 .0207 -.0023 -.0022 .0005 |
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O4 .13388 .43949 .08982 .0141 .0115 .0134 .0168 .0002 .0040 .0022 |
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O5 .18806 .69414 .85668 .0166 .0125 .0203 .0167 .0026 .0047 .0020 |
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O6 .04783 .77900 .63964 .0166 .0206 .0164 .0119 .0027 .0046 .0020 |
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O7 .07267 .93135 .88071 .0164 .0210 .0126 .0200 -.0014 .0123 -.0023 |
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O8 .02133 .58442 .83365 .0145 .0169 .0126 .0156 -.0016 .0076 .0005 |
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O9 .02239 .75174 .08286 .997 .0134 .0150 .0113 .0144 -.0002 .0055 0 |
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H9 .0020 .743 .1625 .997 .020 |
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O10 .22535 .7224 .34460 1.022 .0291 .0399 .0275 .0247 .0111 .0173 .0063 |
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H10a .1738 .732 .2573 1.022 .044 |
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H10b .2562 .726 .276 1.022 .036 |
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O11 .45119 .2146 .34572 1.009 .0328 .0395 .0216 .0236 -.0037 -.0069 .0003 |
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H11a .430 .299 .403 1.009 .049 |
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H11b .400 .207 .258 1.009 .090 |
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O12 .63087 -.0041 .46625 1.035 .0313 .0243 .0288 .0442 -.0045 .0160 -.0129 |
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H12a .6839 .049 .537 1.035 .047 |
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H12b .651 -.106 .421 1.035 .067 |
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O13 .39021 .5129 .50859 1.019 .0253 .0185 .0263 .0326 .0002 .0107 .0075 |
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H13a .4323 .467 .5950 1.019 .038 |
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H13b .416 .601 .459 1.019 .082 |
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