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Lithiophilite |
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Geller S, Durand J L |
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Acta Crystallographica 13 (1960) 325-331 |
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Refinement of the structure of LiMnPO4 |
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Locality: synthetic |
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_database_code_amcsd 0009238 |
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6.10 10.46 4.744 90 90 90 Pmnb |
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atom x y z Biso |
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Li 0 0 0 1.0 |
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Mn .25 .2817 -.0281 .22 |
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P .25 .0923 .4081 .04 |
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O1 .25 .0968 -.2664 .51 |
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O2 .25 .4561 .2073 .50 |
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O3 .0492 .1609 .2781 .47 |
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Cu(HPO3H)2 |
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Sghyar P M, Durand J, Cot L, Rafiq M |
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Acta Crystallographica C46 (1990) 1378-1381 |
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Structure de Cu(HPO3H)2 |
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_database_code_amcsd 0010167 |
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7.4748 9.9406 7.5175 90 99.722 90 P2_1/a |
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atom x y z Uiso |
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Cu .57110 .41837 .69293 .122 |
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P1 .2266 .2995 .4631 .139 |
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P2 .2693 .4333 .9505 .164 |
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O11 .3949 .3869 .4737 .151 |
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O12 .2505 .1899 .6035 .189 |
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O13 .1814 .2467 .2664 .364 |
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O21 .2577 .0325 .9024 .181 |
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O22 .1211 .9907 .1842 .195 |
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O23 .0836 .3812 .8508 .491 |
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H11 .086 .372 .475 0 |
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H22 .350 .317 .013 0 |
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H1 .503 .068 .838 .12 |
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H2 .176 .179 .266 .02 |
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Ti6(CH3COO)8(OPr)8O4 |
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Laaziz P I, Larbot A, Guizard C, Durand J, Cot L, Joffre J |
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Acta Crystallographica C46 (1990) 2332-2334 |
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Structure de Ti6(CH3COO)8(OPR)8O4 |
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_database_code_amcsd 0010233 |
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9.361 11.852 15.791 108.54 96.54 106.07 P-1 |
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atom x y z Uiso |
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Til .2138 .2025 .5842 .0049 |
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Ti2 .0290 -.0650 .6226 .0048 |
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Ti3 .2615 .1450 .7935 .0059 |
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O1 .1719 .1013 .6558 .0048 |
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O2 .0270 .1204 .4951 .0046 |
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O3 .1722 .3347 .6495 .0064 |
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O4 .4420 .2816 .6481 .0060 |
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O5 .2931 .0660 .5021 .0054 |
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O6 .2934 .3007 .4994 .0065 |
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O7 .1108 .2256 .3718 .0063 |
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O8 .1429 -.0074 .3627 .0058 |
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O9 .8040 .1392 .3800 .0058 |
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O10 .9142 .0081 .2356 .0054 |
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O11 .3531 .1518 .9000 .0079 |
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O12 .1721 .2592 .8382 .0083 |
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O13 .3802 .0181 .7320 .0063 |
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O14 .4492 .2770 .7863 .0074 |
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C1 .237 .306 .425 .0006 |
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C2 .323 .410 .394 .0008 |
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C3 .755 .010 .577 .0006 |
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C4 .694 .116 .610 .0008 |
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C5 .504 .315 .730 .0005 |
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C6 .664 .414 .762 .0008 |
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C7 .666 .086 .329 .0005 |
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C8 .561 .166 .357 .0008 |
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C9 .148 .450 .669 .0015 |
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C10 .731 .449 .268 .0017 |
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C11 .028 .450 .604 .0016 |
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C12 .467 .139 .960 .0014 |
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C13 .450 .191 .055 .0016 |
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C14 .620 .183 .943 .0015 |
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C15 .152 .345 .911 .0025 |
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C16 .249 .437 .969 .0030 |
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C17 .992 .339 .897 .0031 |
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C18 .969 .050 .165 .0009 |
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C19 .919 .161 .163 .0013 |
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C20 .131 .059 .167 .0017 |
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F4 Gd2 K4 O9 |
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Mercier N, Leblanc M, Durand J |
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European Journal of Solid State and Inorganic Chemistry 34 (1997) 241-249 |
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New frequency doubling compounds: K4Ln2(CO3)3F4 (Ln = Pr,Nd,Sm,Gd,Eu); |
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crystal structure and characterization |
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_cod_database_code 1000474 |
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_database_code_amcsd 0012607 |
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9.0268 9.0268 13.684 90 90 120 R32 |
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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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Gd1 0 0 .3561 .0091 .0091 .0090 .0046 0 0 |
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K1 0 0 0 .0155 .0155 .0209 .0076 0 0 |
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K2 .3719 0 .5 .0329 .0290 .0194 .0145 -.0031 -.0062 |
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C1 .6457 0 0 .0100 .0086 .042 .0043 -.0010 -.0020 |
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O1 .1428 .7850 .0017 .0106 .0115 .0824 .0035 .0051 .0016 |
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O2 .5023 0 0 .0124 .0173 .0506 .0087 -.0020 -.0039 |
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F1 0 0 .1945 .0298 .0298 .0127 .0149 0 0 |
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F2 .0505 .8997 .5002 .333 .0136 .092 .0143 .018 .011 -.002 |
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