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Whitlockite |
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Gopal R, Calvo C, Ito J, Sabine W K |
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Canadian Journal of Chemistry 52 (1974) 1155-1164 |
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Crystal structure of synthetic Mg-whitlockite, Ca18Mg2H2(PO4)14 |
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Locality: synthetic |
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_database_code_amcsd 0012160 |
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10.350 10.350 37.085 90 90 120 R3c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CaIB .2951 .1580 .6720 .0251 .0147 .0141 .0145 -.0098 -.0070 |
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CaIIB1 .2810 .1468 .5648 .0089 .0084 .0078 .0044 -.0010 -.0013 |
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CaIIB2 .3880 .1800 .7676 .0091 .0079 .0081 .0040 -.0018 .0002 |
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Mg 0 0 0 .0068 .0068 .0080 .0034 0 0 |
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PA 0 0 .7531 .0079 .0079 .0113 .00395 0 0 |
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PB1 .3180 .1433 .8641 .0070 .0062 .0061 .0032 .0003 .0000 |
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PB2 .3511 .1578 .9674 .0056 .0055 .0055 .0019 .0006 .0011 |
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OHIA 0 0 .7957 .031 .031 .008 .0155 0 0 |
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OIIA -.0219 .1290 .7407 .017 .009 .018 .009 .007 .005 |
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OIB1 .2758 .0910 .8250 .017 .016 .006 .009 .001 -.001 |
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OIIB1 .2477 .2334 .8773 .012 .011 .011 .009 .000 -.001 |
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OIIB3 .2736 .0025 .8866 .011 .008 .008 .004 -.000 .001 |
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OIIB5 .4892 .2421 .8685 .005 .010 .014 .005 .004 .002 |
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OIB2 .4063 .1980 .0065 .012 .011 .006 .005 -.002 -.001 |
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OIIB2 .3994 .0477 .9539 .007 .014 .009 .007 .000 .000 |
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OIIB4 .4151 .3037 .9460 .013 .010 .011 .003 .000 .002 |
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OIIB6 .1781 .0782 .9643 .010 .012 .008 .008 -.000 -.001 |
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