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Hillite |
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Yakubovich O V, Massa W, Liferovich R P, Gavrilenko P G, Bogdanova A N, Tuisku P |
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The Canadian Mineralogist 41 (2003) 981-988 |
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Hillite, a new member of the fairfieldite group: Its description and crystal structure |
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_database_code_amcsd 0005879 |
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5.736 6.767 5.462 97.41 108.59 107.19 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .3026 .7605 .6536 .0165 .0138 .0162 .0175 .0035 .0047 .0050 |
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Zn .0 .0 .0 .623 .0159 .0139 .0143 .0178 .0040 .0043 .0046 |
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Mg .0 .0 .0 .377 .0159 .0139 .0143 .0178 .0040 .0043 .0046 |
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P .3353 .2447 .6655 .0145 .0126 .0135 .0157 .0032 .0039 .0055 |
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O1 .3375 .1298 .8947 .0172 .0143 .0182 .0197 .0052 .0062 .0085 |
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O2 .2572 .0702 .4078 .0182 .0155 .0182 .0173 .0044 .0034 .0038 |
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O3 .1563 .3738 .6344 .0173 .0164 .0163 .0195 .0058 .0061 .0067 |
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O4 .6222 .3874 .7202 .0176 .0137 .0161 .0194 .0025 .0038 .0054 |
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O5 .9493 .2773 .0692 .0170 .0139 .0152 .0192 .0034 .0036 .0068 |
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H1 .105 .380 .118 .045 |
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H2 .857 .314 -.053 .045 |
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Na1.265Mn3.475(PO4)3 |
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Yakubovich O V, Massa W, Gavrilenko P G, Dimitrova O V |
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European Journal of Mineralogy 17 (2005) 741-747 |
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The crystal structure of a new synthetic member in the |
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wyllieite group: Na1.265Mn2+2.690Mn3+0.785(PO4)3 |
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Note: Uiso's for Mn2 and Mn3 corrected by authors |
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_database_code_amcsd 0007131 |
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6.5291 12.653 10.952 90 97.18 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1X2 .2468 .0182 .5007 .854 .0322 .0398 .0425 .0162 -.0005 .0108 -.0029 |
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Na2X1a .5 .5 .5 .411 .0344 .051 .0150 .0442 -.0051 .0354 -.0015 |
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Mn1M1 .76656 .26564 .49928 .0095 .0086 .0121 .0071 .0010 -.0018 -.0009 |
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Mn2M2a .08817 .14513 .72576 .0070 .0055 .0115 .0039 -.0007 .0004 -.0012 |
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Mn3M2b .42027 .16786 .28292 .0076 .0077 .0086 .0063 -.0008 -.0007 .0002 |
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Mn4X1b .0266 .5028 .5130 .475 .0136 .029 .0057 .0083 -.0033 .0104 -.0033 |
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P1 .6195 .40115 .23241 .0074 .0039 .0131 .0053 .0013 .0009 -.0012 |
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P2 .0915 .88358 .73581 .0061 .0079 .0062 .0047 -.0002 .0026 -.0003 |
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P3 .2655 .28952 .50696 .0052 .0046 .0070 .0044 .0001 .0015 .0003 |
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O1 .4221 .3345 .2312 .0166 .0048 .0347 .0107 -.0014 .0020 -.0009 |
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O2 .0508 .9885 .6700 .0131 .0161 .0105 .0125 .0015 .0011 .0002 |
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O3 .1557 .6013 .3754 .0093 .0116 .0108 .0055 .0004 .0003 .0008 |
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O4 .1633 .3743 .4198 .0124 .0156 .0126 .0092 .0066 .0015 .0010 |
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O5 .4385 .0095 .3255 .0182 .0181 .0248 .0119 -.0130 .0019 -.0040 |
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O6 .3862 .3552 .6108 .0159 .0200 .0159 .0109 -.0098 -.0013 .0008 |
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O7 .2606 .8251 .6757 .0123 .0164 .0118 .0103 -.0003 .0075 -.0023 |
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O8 .1036 .1862 .2816 .0111 .0122 .0139 .0070 -.0054 .0004 -.0011 |
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O9 .4341 .2239 .4529 .0097 .0059 .0164 .0074 .0030 .0026 .0017 |
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O10 .0988 .2161 .5443 .0078 .0055 .0126 .0054 -.0028 .0017 .0003 |
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O11 .7645 .3466 .1508 .0120 .0074 .0169 .0128 -.0010 .0054 -.0044 |
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O12 .7266 .4102 .3660 .0143 .0164 .0159 .0094 .0017 -.0029 -.0002 |
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Sakhaite |
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Yakubovich O V, Steele I M, Gavrilenko P G, Urusov V S |
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Crystallography Reports 50 (2005) 226-234 |
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Crystal structure of sakhaite from the Solongo deposit in connection with |
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the crystal chemical interpretation of the sakhaite-harkerite mineral series |
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Locality: Solongo deposit, Vitim Plateau, Buryatia, Zabaykalye, Russia |
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_database_code_amcsd 0012390 |
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14.679 14.679 14.679 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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Mg 0 .5 0 .8246 .0088 |
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Fe 0 .5 0 .1754 .0088 |
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Ca .125 .37706 .125 .0249 |
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C .25 .25 0 .062 |
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B -.0351 .2851 -.0351 .8774 .012 |
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Si -.0117 .2617 -.0117 .1226 .012 |
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Al .375 .375 -.125 .120 .06 |
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O1 .0059 .3603 .0059 .88 .0222 |
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O1' -.005 .370 -.005 .12 .0222 |
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O2 .2296 .3330 .0204 .5 .064 |
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O3 .442 .308 -.058 .120 .06 |
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Wat4 .350 .400 -.150 .102 .13 |
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Clhcl .350 .400 -.150 .102 .13 |
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Chabazite-K |
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Yakubovich O V, Massa W, Gavrilenko P G, Pekov I V |
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Crystallography Reports 50 (2005) 544-553 |
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Crystal structure of chabazite K |
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Locality: Khibiny alkaline massif, Kola Peninsula, Russia |
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Sample: T = 193 K |
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_database_code_amcsd 0012392 |
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13.831 13.831 15.023 90 90 120 R-3m |
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atom x y z occ |
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K1 2/3 1/3 .0613 .5502 |
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K2 2/3 1/3 .0268 .1164 |
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Na1 0 0 .0998 .354 |
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Na2 .6341 .31705 .0939 .052 |
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Ca .1166 -.1166 -.0379 .140 |
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Al .10485 .43831 .06199 .333 |
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Si .10485 .43831 .06199 .667 |
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O1 .42743 .213715 -.03306 |
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O2 .34846 0 0 |
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O3 .07040 .40373 1/6 |
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O4 .56780 .13559 -.04210 |
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Wat5 .343 .1715 .188 .314 |
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Wat6 .1380 0 0 .394 |
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Wat7 2/3 1/3 5/6 .036 |
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Wat8 .142 .071 .063 .162 |
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Wat9 .0900 -.0900 .1627 .284 |
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Wat10 .0186 -.1422 .1498 .328 |
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Wat11 1/3 .1965 1/6 .188 |
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Wat12 0 0 .067 .072 |
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Tveitite |
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Yakubovich O V, Massa W, Pekov I V, Gavrilenko P G |
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Crystallography Reports 52 (2007) 71-79 |
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Crystal structure of tveitite-(Y): fractionation of rare-earth elements |
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between positions and the variety of defects |
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Locality: Rov-Gora Mountain, West Keivy, Kola Peninsula, Russia |
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_database_code_amcsd 0012393 |
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17.020 17.020 9.679 90 90 120 R-3 |
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atom x y z occ Uiso |
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YA1 .87106 .01720 .82517 .883 .0105 |
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NaA1 .87106 .01720 .82517 .11 .0105 |
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CaA2 .76076 .03251 .16022 .841 .0141 |
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NdA2 .76076 .03251 .16022 .159 .0141 |
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CaA3 .73790 .89618 .49980 .716 .0110 |
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NaA3 .73790 .89618 .49980 .204 .0110 |
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HoA3 .73790 .89618 .49980 .080 .0110 |
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CaA4 0 0 .5 .092 .0169 |
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NaA4 0 0 .5 .074 .0169 |
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F1 .8716 .0188 .5855 .0176 |
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F2 .7325 .8969 .7449 .0173 |
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F3 .8902 .1570 .7483 .0148 |
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F4 .7553 .0365 .4113 .0165 |
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F5 .7503 .0331 .9058 .0181 |
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F6 .8044 .9184 .9981 .72 .0271 |
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F7 .8898 .9032 .7646 .71 .0350 |
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F8 .8593 .8765 .9171 .30 .018 |
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F9 0 0 .929 .06 .030 |
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F10 0 0 .750 .10 .021 |
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F11 .001 .029 .973 .06 .033 |
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