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Kilchoanite |
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Taylor H F W |
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Mineralogical Magazine 38 (1971) 26-31 |
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The crystal structure of kilchoanite, Ca6(SiO4)(Si3O10), with |
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some comments on related phases |
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Locality: Kilchoan, Ardnamurchan, Scotland |
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11.42 5.09 21.95 90 90 90 I2cm |
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atom x y z Biso |
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Ca1 -.0134 0 0 1.7 |
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Ca2 .2860 .003 .25 1.3 |
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Ca3 .0107 .005 .1679 1.2 |
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Ca4 .2177 .501 .1040 1.0 |
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Si1 .097 .426 .25 1.3 |
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Si2 .408 .940 .0997 1.0 |
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Si3 .240 0 0 1.4 |
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O1 .164 .297 .1919 1.2 |
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O2 -.033 .293 .25 2.1 |
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O3 .098 .759 .25 .9 |
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O4 .346 .793 .1584 1.2 |
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O5 .035 .707 .0919 1.3 |
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O6 .334 .802 .0402 2.1 |
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O7 .404 .255 .0954 .6 |
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O8 .160 .179 .0412 1.9 |
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Kilchoanite |
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Kimata M |
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Mineralogical Magazine 53 (1989) 625-631 |
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The crystal structure of manganoan kilchoanite, Ca2.33Mn0.67Si2O7: |
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a site preference rule for the substitution of Mn for Ca |
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11.356 5.007 21.8170 90 90 90 I2cm |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 .0173 0 0 .86 .00123 .00919 .00055 0 0 .00020 |
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Ca2 .3095 .9943 .25 .64 .00122 .00693 .00031 .00045 0 0 |
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Ca3 .03378 .0028 .17000 .508 .87 .00218 .00597 .00046 -.00018 -.00038 -.00029 |
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Mn3 .03378 .0028 .17000 .492 .87 .00218 .00597 .00046 -.00018 -.00038 -.00029 |
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Ca4 .24432 .4953 .10580 .822 .75 .00127 .00740 .00044 -.00002 .00004 -.00026 |
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Mn4 .24432 .4953 .10580 .178 .75 .00127 .00740 .00044 -.00002 .00004 -.00026 |
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Si1 .1194 .4222 .25 .64 .00143 .00522 .00035 .00060 0 0 |
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Si2 .4386 .9384 .10256 .65 .00143 .00511 .00037 .00026 -.000004 -.00012 |
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Si3 .2728 0 0 .62 .00117 .00630 .00033 0 0 .000003 |
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O1 .1864 .2910 .1908 .85 .00208 .00776 .00036 .00122 .00016 .00017 |
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O2 .9893 .2836 .25 .91 .00157 .0094 .00052 .00038 0 0 |
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O3 .1203 .7450 .25 .96 .00225 .00556 .00062 .00030 0 0 |
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O4 .3743 .7953 .1601 .97 .00192 .01033 .00046 .0006 .00012 -.00013 |
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O5 .0664 .7011 .0956 1.03 .00127 .01027 .00074 -.00004 .00008 .00046 |
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O6 .3638 .8127 .0420 .83 .00210 .00665 .00039 .00026 -.00008 -.00002 |
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O7 .4354 .2591 .0987 .91 .00182 .00574 .00063 .00022 -.00001 -.00016 |
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O8 .1923 .1878 .0405 1.08 .00156 .01109 .00069 .00055 .00002 -.00109 |
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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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