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Defernite |
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Armbruster T, Yang P, Liebich B W |
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American Mineralogist 81 (1996) 625-631 |
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Mechanism of the SiO4 for CO3 substitution in defernite, |
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Ca6(CO3)1.58(Si2O7)0.21(OH)7[Cl0.50(OH)0.08(H2O)0.42]: A single-crystal X-ray |
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study at 100 K |
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_database_code_amcsd 0001795 |
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17.744 22.601 3.633 90 90 90 Pnam |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .71084 .08323 .25 .763 .0090 .0140 .0060 -.0003 0 0 |
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Ca2 .53158 .42685 .25 .578 .0079 .0086 .0055 -.00020 0 0 |
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Ca3 .36989 .17931 .25 .736 .0128 .0092 .0060 -.0025 0 0 |
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Ca4 .62081 .65941 .25 .549 .0075 .0079 .0055 -.00070 0 0 |
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Ca5 .77072 .90686 .25 .693 .0086 .0109 .0068 -.0015 0 0 |
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Ca6 .97448 .57623 .25 .702 .0074 .0098 .0094 -.00018 0 0 |
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C1 .37222 .47117 .25 .68 .0099 .0104 .0055 -.0007 0 0 |
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O1 .56809 .49527 .75 .70 .0079 .0102 .0086 -.0016 0 0 |
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O2 .61760 .58571 .75 .96 .0175 .0082 .0107 -.0003 0 0 |
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O3 .69361 .50731 .75 1.23 .0080 .0164 .0224 .0000 0 0 |
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Si2 .3693 .0308 .307 .420 .27 |
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O4S .3480 .0359 .75 .420 1.4 .008 .042 .002 .005 0 0 |
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O5S .3451 -.0349 .203 .420 .8 .010 .006 .015 .002 .000 -.002 |
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O6S .4593 .0342 .25 .420 .71 .003 .012 .012 .001 0 0 |
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O7S .3223 .0848 .147 .420 .82 .008 .005 .018 -.001 -.002 .006 |
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C2 .3691 .0306 .25 .580 1.2 .016 .021 .010 -.001 0 0 |
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O5 .3444 -.0227 .25 .580 .95 .014 .009 .014 .004 0 0 |
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O6 .4407 .0404 .25 .580 1.12 .008 .020 .015 -.001 0 0 |
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O7 .3221 .0744 .25 .580 1.07 .014 .007 .019 .000 0 0 |
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O8 .08948 .38194 .25 1.16 .0124 .0192 .0123 -.0021 0 0 |
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O9 .24815 .85827 .25 .92 .0119 .0122 .0110 .0004 0 0 |
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O10 .04826 .66228 .25 .82 .0107 .0114 .0090 -.0010 0 0 |
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O11 .40225 .28006 .25 .85 .0128 .0098 .0097 -.0001 0 0 |
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O12 .49567 .63179 .25 .78 .0108 .0119 .0069 -.0008 0 0 |
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O13 .15225 .11250 .25 .89 .0097 .0120 .0123 -.0009 0 0 |
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O14 .71552 .81385 .25 1.11 .0113 .0180 .0128 -.0004 0 0 |
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Cl1 .8883 .75150 .1149 .249 2.95 .027 .0149 .070 .0005 -.003 -.0015 |
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OCh2 .9238 .7586 .569 .156 3.8 |
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OCh3 .8519 .7457 .75 .051 1.9 |
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OCh4 .930 .757 .25 .025 3.3 |
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OCh5 .857 .744 .25 .031 3.95 |
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H8 .911 .655 .75 3.95 |
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H9 .775 .669 .25 3.95 |
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H10 .520 .813 .25 3.95 |
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H11 .552 .724 .75 3.95 |
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H12 .466 .661 .25 3.95 |
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H13 .644 .354 .25 3.95 |
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H14 .747 .788 .25 3.95 |
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Chantalite |
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Liebich B W, Sarp H, Parthe E |
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Zeitschrift fur Kristallographie 150 (1979) 53-63 |
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The crystal structure of chantalite, CaAl2(OH)4SiO4 |
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Locality: rodingitic dykes in a ophiolitic zone in the Taurus Mountains, |
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southwest Turkey |
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_database_code_amcsd 0010811 |
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4.952 4.952 23.275 90 90 90 *I4_1/a |
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0 .25 .125 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca 0 .25 .625 .010 .010 .008 0 0 0 |
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Al 0 .25 .4653 .010 .006 .008 .001 0 0 |
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Si 0 .25 .125 .006 .006 .010 0 0 0 |
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O1 .1310 .4967 .1631 .007 .010 .011 -.001 .000 .005 |
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O2 .1891 .9219 .4703 .011 .007 .005 .001 .000 .001 |
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H .390 .970 .460 .015 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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