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Merrillite |
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Hughes J M, Jolliff B L, Gunter M E |
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American Mineralogist 91 (2006) 1547-1552 |
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The atomic arrangement of merrillite from the Fra Mauro Formation, Apollo 14 |
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lunar mission: The first structure of merrillite from the Moon |
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_database_code_amcsd 0004238 |
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10.2909 10.2909 36.8746 90 90 120 R3c |
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atom x y z occ Uiso |
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Na 0 0 .8137 .23 .07 |
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Ca1 .2763 .1398 .67489 .0247 |
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Ca2 .2745 .1376 .56760 .0195 |
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Ca3 .3805 .1887 .76925 .0251 |
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Mg 0 0 0 .80 .0144 |
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Fe 0 0 0 .20 .0144 |
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P1 0 0 .73247 .93 .0193 |
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P2 .3151 .1390 .86556 .88 .011 |
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P3 .3429 .1539 .96904 .89 .016 |
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O1 0 0 .6905 .027 |
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O2 -.0075 .1375 .7450 .032 |
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O3 .2713 .0915 .8262 .031 |
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O4 .247 .233 .8792 .029 |
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O5 .2717 -.001 .8881 .021 |
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O6 .4887 .245 .8694 .029 |
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O7 .3776 .189 .0092 .028 |
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O8 .3993 .0509 .9564 .028 |
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O9 .4141 .3040 .9491 .026 |
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O10 .1723 .084 .9622 .026 |
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| Download AMC data (View Text File)
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Whitlockite |
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Hughes J M, Jolliff B L, Rakovan J |
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American Mineralogist 93 (2008) 1300-1305 |
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The crystal chemistry of whitlockite and merrillite and the dehydrogenation of whitlockite to merrillite |
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Locality: Palermo Mine, North Groton, Grafton County, New Hampshire |
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_database_code_amcsd 0004622 |
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10.3612 10.3612 37.096 90 90 120 R3c |
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atom x y z occ Uiso |
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Mg 0 0 0 .571 .0089 |
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Fe 0 0 0 .429 .0089 |
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CaB1 .27895 .14521 .56616 .01015 |
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CaB2 .38756 .17949 .76821 .01128 |
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CaB .28589 .15301 .67340 .02297 |
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PB1 .31608 .14232 .86487 .00908 |
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PB2 .34973 .15633 .96794 .00909 |
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OIB1 .2719 .0913 .82566 .0199 |
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OIIB1 .24554 .23150 .87850 .0154 |
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OIIB3 .27315 .00089 .88698 .0118 |
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OIIB5 .48750 .24141 .86869 .0139 |
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OIIB2 .39897 .04698 .95475 .0138 |
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OIIB4 .41720 .30286 .94715 .0170 |
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OIIB6 .17844 .07904 .96333 .0121 |
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OIB2 .3989 .19368 .00765 .0174 |
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OHIA 0 0 .7974 .693 .034 |
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PA 0 0 .75472 .725 .0128 |
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OIIA -.0230 .1290 .7409 .57 .0111 |
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CaIIA 0 0 .8111 .181 .038 |
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PA' 0 0 .73290 .275 .0048 |
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OIA' 0 0 .6923 .307 .011 |
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OIIA' -.0068 .1359 .7484 .43 .0115 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Whitlockite |
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Hughes J M, Jolliff B L, Rakovan J |
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American Mineralogist 93 (2008) 1300-1305 |
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The crystal chemistry of whitlockite and merrillite and the |
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dehydrogenation of whitlockite to merrillite |
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Locality: Tip Top Pegmatite, Custer County, South Dakota |
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_database_code_amcsd 0004623 |
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10.3477 10.3477 37.077 90 90 120 R3c |
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atom x y z occ Uiso |
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CaIIB1 .28086 .14684 .56524 .01064 |
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CaIIB2 .38857 .18041 .76783 .01180 |
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CaIB .29316 .15677 .67249 .02103 |
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CaIIA' 0 0 .804 .061 .16 |
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Mg 0 0 0 .986 .0092 |
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Fe 0 0 0 .014 .0092 |
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PB1 .31789 .14369 .86415 .00928 |
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PB2 .35105 .15782 .96743 .00905 |
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OIB1 .27590 .09227 .82502 .0176 |
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OIIB1 .24752 .23409 .87751 .0153 |
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OIIB3 .27268 .00219 .88649 .0119 |
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OIIB5 .48953 .24215 .86839 .0127 |
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OIIB2 .39930 .04767 .95395 .0141 |
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OIIB4 .41485 .30319 .94625 .0158 |
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OIIB6 .17944 .07920 .96426 .0110 |
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OIB2 .40594 .19802 .00678 .0145 |
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OHIA 0 0 .79603 .890 .0281 |
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PA 0 0 .75338 .961 .0137 |
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OIIA -.0254 .1266 .7394 .66 .0115 |
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PA' 0 0 .7306 .039 .000 |
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OIA' 0 0 .6900 .110 .035 |
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OIIA' -.0111 .1350 .7463 .34 .0138 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Whitlockite |
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Hughes J M, Jolliff B L, Rakovan J |
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American Mineralogist 93 (2008) 1300-1305 |
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The crystal chemistry of whitlockite and merrillite and the |
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dehydrogenation of whitlockite to merrillite |
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Locality: synthetic |
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Note: Standard temperature and pressure |
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_database_code_amcsd 0004624 |
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10.3571 10.3571 37.138 90 90 120 R3c |
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atom x y z occ Uiso |
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CaIIB1 .28103 .14681 .56524 .01046 |
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CaIIB2 .38774 .18010 .76772 .01083 |
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CaIB .29481 .15772 .67220 .02000 |
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CaIIA' 0 0 .785 .060 .21 |
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Mg 0 0 0 .921 .0086 |
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Fe 0 0 0 .079 .0086 |
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PB1 .31784 .14377 .86425 .00902 |
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PB2 .35115 .15823 .96727 .00883 |
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OIB1 .27767 .09381 .82512 .0179 |
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OIIB1 .24695 .23366 .87756 .0145 |
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OIIB3 .27216 .00147 .88632 .0118 |
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OIIB5 .48960 .24229 .86891 .0146 |
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OIIB2 .39967 .04862 .95375 .0141 |
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OIIB4 .41517 .30397 .94640 .0158 |
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OIIB6 .17978 .07952 .96382 .0126 |
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OIB2 .40528 .19756 .00669 .0149 |
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OHIA 0 0 .79590 .870 .0259 |
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PA 0 0 .75349 .943 .0112 |
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PA' 0 0 .7305 .057 .001 |
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OIA' 0 0 .6889 .130 .049 |
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OIIA' -.02053 .12951 .74144 .0172 |
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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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Whitlockite |
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Hughes J M, Jolliff B L, Rakovan J |
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American Mineralogist 93 (2008) 1300-1305 |
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The crystal chemistry of whitlockite and merrillite and the |
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dehydrogenation of whitlockite to merrillite |
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Locality: synthetic |
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Note: Heated at 500 degrees C |
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_database_code_amcsd 0004625 |
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10.3597 10.3597 37.161 90 90 120 R3c |
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atom x y z occ Uiso |
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CaIIB1 .28105 .14678 .56529 .01021 |
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CaIIB2 .38763 .18007 .76769 .01061 |
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CaIB .29466 .15765 .67217 .02021 |
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CaIIA' 0 0 .794 .036 .09 |
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Mg 0 0 0 .916 .0080 |
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Fe 0 0 0 .084 .0080 |
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PB1 .31784 .14377 .86430 .00866 |
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PB2 .35111 .15826 .96727 .00865 |
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OIB1 .27761 .09418 .82513 .0180 |
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OIIB1 .24689 .23367 .87760 .0143 |
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OIIB3 .27196 .00130 .88626 .0116 |
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OIIB5 .48942 .24224 .86896 .0146 |
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OIIB2 .39968 .04875 .95375 .0139 |
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OIIB4 .41539 .30422 .94649 .0157 |
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OIIB6 .17993 .07962 .96367 .0129 |
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OIB2 .40458 .19726 .00667 .0149 |
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OHIA 0 0 .79602 .831 .0261 |
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PA 0 0 .75359 .926 .0111 |
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PA' 0 0 .7308 .074 .002 |
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OIA' 0 0 .6889 .169 .048 |
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OIIA' -.0200 .1305 .74108 .76 .0105 |
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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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Merrillite |
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Hughes J M, Jolliff B L, Rakovan J |
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American Mineralogist 93 (2008) 1300-1305 |
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The crystal chemistry of whitlockite and merrillite and the |
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dehydrogenation of whitlockite to merrillite |
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Locality: synthetic |
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Note: Formed through dehydrogenation of synthetic whitlockite |
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by heating at 1050 degrees C for 24 hours |
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_database_code_amcsd 0004626 |
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10.3499 10.3499 37.115 90 90 120 R3c |
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atom x y z occ Uiso |
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CaIIB1 .27347 .14232 .56805 .00999 |
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CaIIB2 .38364 .17687 .76923 .01083 |
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CaIB .27226 .14701 .67506 .01981 |
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CaIIA' 0 0 .81260 .443 .0147 |
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Mg 0 0 0 .935 .0086 |
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Fe 0 0 0 .065 .0086 |
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PB1 .31343 .13900 .86563 .00944 |
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PB2 .34384 .15160 .96931 .00837 |
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OIB1 .26151 .08320 .82711 .0210 |
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OIIB1 .24269 .22849 .87966 .0182 |
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OIIB3 .27624 -.00043 .88827 .0114 |
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OIIB5 .48536 .24023 .86822 .0148 |
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OIIB2 .39666 .04391 .95679 .0140 |
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OIIB4 .41985 .30068 .94937 .0163 |
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OIIB6 .17435 .07693 .96245 .0112 |
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OIB2 .37816 .18167 .00954 .0130 |
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PA' 0 0 .73451 .964 .0092 |
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OIA' 0 0 .69336 .0169 |
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OIIA' -.00408 .13809 .74822 .0224 |
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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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