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Alumohydrocalcite |
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Stachowicz M, Parafiniuk J, Wilson C, Coles S, Wozniak K |
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American Mineralogist 100 (2015) 110-119 |
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Applications of Hirshfeld surfaces to mineralogy: An example of |
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alumohydrocalcite, and the classification of the dundasite group minerals |
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Locality: Nowa Ruda, Poland |
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_database_code_amcsd 0020899 |
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5.71 6.54 14.64 81.8 83.9 86.5 P-1 |
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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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Ca1 .3112 .1032 .60522 .0157 .0154 .0152 .0158 .0011 -.0021 -.0001 |
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Al1 .4484 .1974 .2018 .0091 .0063 .0098 .0109 .0000 -.0009 -.0012 |
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Al2 -.0470 .2003 .2001 .0084 .0064 .0084 .0101 -.0002 -.0004 -.0002 |
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O1 .1314 .2020 .4647 .0183 .015 .021 .017 -.003 .001 .001 |
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O2 .3709 .1501 .3359 .0098 .007 .011 .012 .003 -.003 -.001 |
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O3 -.0259 .1586 .3344 .0121 .010 .011 .015 -.002 -.005 .001 |
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O4 .9323 .2311 .0716 .0136 .012 .018 .011 .002 -.003 -.002 |
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O5 .5298 .2275 .0722 .0130 .007 .018 .013 -.001 -.001 .001 |
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O6 .7587 .2628 -.0612 .0167 .018 .014 .018 .001 .000 -.004 |
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O7 .1906 .3932 .1936 .0084 .005 .006 .013 .001 -.001 .003 |
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O8 .2163 .0056 .1913 .0089 .008 .009 .010 .000 -.001 -.002 |
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H8 .26 .914 .160 .013 |
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O9 .2913 .9974 .7759 .0101 .007 .004 .018 -.001 .000 -.001 |
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O10 .6854 .3837 .2174 .0103 .009 .010 .011 .001 -.002 .000 |
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O11 .3559 .8028 .5075 .0162 .012 .017 .018 -.002 -.001 .001 |
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H11A .203 .801 .5 .024 |
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H11B .35 .697 .553 .024 |
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H9 .26 .092 .811 .024 |
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O12 .4491 .4329 .6306 .0196 .022 .016 .020 .001 .007 -.006 |
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H12A .456 .498 .677 .029 |
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H12B .607 .43 .615 .029 |
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O13 -.0638 .2982 .6712 .0210 .018 .019 .025 -.007 -.002 .002 |
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H13A -.03 .422 .691 .031 |
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H13B -.197 .24 .709 .031 |
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O14 .7279 .7320 .0965 .0154 .011 .019 .016 -.003 .001 -.001 |
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H14A .684 .73 .039 .023 |
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H14B .884 .748 .071 .023 |
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C1 .1611 .1695 .3794 .009 .008 .008 .011 -.003 .000 .000 |
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C2 .7404 .2435 .0271 .010 .007 .012 .011 -.002 -.002 -.001 |
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H7 .22 .492 .143 .015 |
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H10 .71 .504 .182 .015 |
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