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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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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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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 (permalink) |
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Merrillite |
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Xie X, Yang H, Gu X, Downs R T |
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American Mineralogist 100 (2015) 2753-2756 |
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Chemical composition and crystal structure of merrillite from the Suizhou meteorite |
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Locality: Suizhou meteorite |
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_database_code_amcsd 0020386 |
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10.3444 10.3444 37.0182 90 90 120 R3c |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca1 .26876 .14531 .675116 .0157 .0137 .0130 .0082 -.0012 -.0026 |
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Ca2 .27190 .14172 .567556 .0127 .0133 .0107 .0069 -.0002 -.0009 |
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Ca3 .38354 .17613 .768940 .0131 .0126 .0103 .0059 -.0013 -.0002 |
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Na 0 0 .81343 .98 .0267 .0267 .0300 .0134 0 0 |
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Mg 0 0 -.00066 .952 .0113 .0113 .0100 .0056 0 0 |
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Fe 0 0 -.00066 .048 .0113 .0113 .0100 .0056 0 0 |
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P1 0 0 .73382 .0110 .0110 .0120 .00548 0 0 |
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P2 .31245 .13793 .865089 .0107 .0115 .0103 .0055 .0000 .0007 |
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P3 .34393 .15077 .968934 .0104 .0110 .0096 .0051 .0002 .0006 |
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O1 0 0 .69277 .0148 .0148 .0120 .0074 0 0 |
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O2 -.0040 .1384 .74754 .0165 .0137 .0223 .0095 .0045 -.0017 |
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O3 .2576 .0803 .82653 .0165 .0171 .0111 .0067 .0005 -.0006 |
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O4 .2421 .2273 .87922 .0186 .0202 .0142 .0125 .0038 .0028 |
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O5 .2767 -.0008 .88802 .0132 .0119 .0111 .0052 .0009 .0017 |
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O6 .4850 .2392 .86724 .0117 .0118 .0126 .0051 .0008 .0008 |
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O7 .3784 .1809 .00923 .0123 .0157 .0092 .0063 -.0022 -.0007 |
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O8 .3969 .0427 .95653 .0162 .0182 .0134 .0102 -.0005 -.0026 |
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O9 .4208 .2997 .94880 .0175 .0143 .0133 .0047 .0003 .0026 |
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O10 .1741 .0767 .96191 .0101 .0142 .0104 .0053 -.0016 -.0006 |
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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 (permalink) |
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Merrillite |
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Dowty E |
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Earth and Planetary Science Letters 35 (1977) 347-351 |
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Phosphate in Angra Dos Reis: Structure and composition of the Ca3(PO4)2 minerals |
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Locality: Angra Dos Reis meteorite |
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_database_code_amcsd 0018313 |
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10.362 10.362 37.106 90 90 120 R3c |
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atom x y z occ Biso |
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Mg 0 0 0 .78 .49 |
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Fe 0 0 0 .22 .49 |
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Ca(IB) .2700 .1241 .1753 1.20 |
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Ca(IIA) 0 0 .3141 .45 1.5 |
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Ca(IIB1) .2725 .1308 .0681 .60 |
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Ca(IIB2) .1261 .2830 .4359 .65 |
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P(A) 0 0 .2348 .77 |
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P(B1) .3125 .1744 .3658 .66 |
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P(B2) .1821 .3222 .1358 .53 |
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O(IA) 0 0 .1935 1.7 |
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O(IB1) .2612 .1788 .3268 1.74 |
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O(IB2) .1517 .2886 .1764 1.11 |
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O(IIA) .1422 .1381 .2484 1.71 |
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O(IIB1) .2417 .0145 .3798 1.52 |
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O(IIB2) .2887 .2686 .1237 1.00 |
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O(IIB3) .2764 .2772 .3885 .95 |
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O(IIB4) .0322 .2453 .1161 1.29 |
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O(IIB5) .0920 .1798 .0353 1.11 |
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O(IIB6) .1761 .0994 .4622 .77 |
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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 (permalink) |
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