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Cuproscheelite |
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Redfern S A T, Bell A M T, Henderson M B, Schofield P F |
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European Journal of Mineralogy 7 (1995) 1019-1028 |
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Rietveld study of the structural phase transition in the |
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sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution |
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Sample: Cu.7Zn.3WO4 |
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_database_code_amcsd 0006598 |
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4.699 5.817 4.887 91.33 92.08 83.90 P-1 |
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atom x y z occ Biso |
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CuM .5002 .6694 .2444 .7 1.22 |
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ZnM .5002 .6694 .2444 .3 1.22 |
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W .0157 .1758 .2539 .43 |
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O1 .250 .349 .418 .2 |
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O2 .211 .878 .436 .2 |
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O3 .737 .378 .094 .2 |
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O4 .783 .908 .050 .2 |
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Sanmartinite |
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Redfern S A T, Bell A M T, Henderson M B, Schofield P F |
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European Journal of Mineralogy 7 (1995) 1019-1028 |
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Rietveld study of the structural phase transition in the |
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sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution |
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Sample: x=0.55 |
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_database_code_amcsd 0006599 |
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4.689 5.77 4.899 90.84 91.52 85.87 P-1 |
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atom x y z occ Biso |
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CuM .5043 .6816 .2445 .45 .92 |
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ZnM .5043 .6816 .2445 .55 .92 |
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W .0090 .1783 .2525 .42 |
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O1 .249 .339 .409 .2 |
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O2 .195 .880 .440 .2 |
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O3 .741 .371 .096 .2 |
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O4 .784 .893 .059 .2 |
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Sanmartinite |
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Redfern S A T, Bell A M T, Henderson M B, Schofield P F |
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European Journal of Mineralogy 7 (1995) 1019-1028 |
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Rietveld study of the structural phase transition in the |
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sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution |
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Sample: x=0.85 |
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_database_code_amcsd 0006600 |
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4.687 5.726 4.920 90 90.85 90 P2/c |
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atom x y z occ Biso |
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CuM .5 .6858 .25 .15 .77 |
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ZnM .5 .6858 .25 .85 .77 |
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W 0 .1821 .25 .52 |
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O1 .214 .1100 .933 .2 |
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O2 .257 .3615 .404 .2 |
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YCl2(H2O)6Cl |
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Bell A M T, Smith A J |
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Acta Crystallographica C46 (1990) 960-962 |
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Structure of hexaaquadichloroyttrium(III) chloride |
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_database_code_amcsd 0010136 |
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7.8346 6.4729 9.5817 90 93.768 90 P2/n |
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atom x y z Uiso |
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Y1 .2500 .1556 .2500 .017 |
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Cl1 .2605 -.1602 .0603 .028 |
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Cl2 .7500 -.3748 .2500 .030 |
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O1 .1071 .2999 .4362 .029 |
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O2 .0894 .4247 .1460 .029 |
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O3 -.0391 .0530 .2181 .029 |
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Morelandite |
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Bell A M T, Henderson C M B, Wendlandt R F, Harrison W J |
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Acta Crystallographica E64 (2008) i63-i64 |
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Rietveld refinement of Ba5(AsO4)3Cl from high-resolution synchrotron data |
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Locality: synthetic |
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_database_code_amcsd 0010488 |
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10.5570 10.5570 7.73912 90 90 120 P6_3/m |
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atom x y z Uiso |
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Ba1 1/3 2/3 .0061 .059 |
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Ba2 .2445 .9874 1/4 .065 |
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As .4047 .3716 1/4 .059 |
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O1 .347 .495 1/4 .13 |
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O2 .591 .473 1/4 .08 |
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O3 .354 .280 .068 .065 |
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Cl 0 0 0 .070 |
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Sr5(AsO4)3Cl |
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Bell A M T, Henderson C M B, Wendlandt R F, Harrison W J |
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Acta Crystallographica E65 (2009) i16-i17 |
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Rietveld refinement of Sr5(AsO4)3Cl from high-resolution synchrotron data |
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Locality: synthetic |
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Note: Apatite structure |
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_database_code_amcsd 0010490 |
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10.1969 10.1969 7.28108 90 90 120 P6_3/m |
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atom x y z Uiso |
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Sr1 1/3 2/3 .008 .0246 |
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Sr2 .2496 .9936 .25 .0246 |
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As .4057 .3718 .25 .029 |
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O1 .337 .496 .25 .015 |
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O2 .598 .464 .25 .015 |
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O3 .354 .284 .063 .015 |
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Cl 0 0 0 .031 |
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Emplectite |
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Razmara M F, Henderson C M B, Pattrick R A D, Bell A M T, Charnock L M |
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Mineralogical Magazine 61 (1997) 79-88 |
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The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2) |
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Note: synthetic |
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_database_code_amcsd 0014523 |
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6.1413 3.9191 14.524 90 90 90 Pnma |
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atom x y z Biso |
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Cu .746 .75 .1721 0.9 |
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Bi .2318 .25 .0638 0.5 |
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S1 .647 .25 .102 1.0 |
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S2 .129 .75 .182 1.0 |
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Chalcostibite |
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Razmara M F, Henderson C M B, Pattrick R A D, Bell A M T, Charnock L M |
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Mineralogical Magazine 61 (1997) 79-88 |
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The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2) |
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Note: synthetic |
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_database_code_amcsd 0014524 |
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6.0160 3.7968 14.499 90 90 90 Pnma |
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atom x y z Biso |
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Cu .7463 .75 .1721 2.20 |
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Sb .2245 .25 .0636 0.5 |
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S1 .624 .25 .0960 1.0 |
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S2 .131 .75 .1787 1.0 |
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Wairakite |
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Henderson C M B, Bell A M T, Kohn S C, Page C S |
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Mineralogical Magazine 62 (1998) 165-178 |
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Leucite-pollucite structure-type variability and the structure of a |
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synthetic end-member calcium wairakite (CaAl2Si4O12*2(H2O)) |
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_database_code_amcsd 0014533 |
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13.694 13.644 13.576 90. 90.46 90 I2/a |
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atom x y z occ Biso |
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Ca12A .25 .127 0 .2425 2.9 |
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Ca12B .75 .385 0 .1975 2.9 |
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Ca2 .011 .248 .118 .78 2.9 |
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Al2A .170 .416 .139 .29 |
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Al2B .844 .088 .119 .29 |
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Si11A .117 .155 .419 .29 |
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Si11B .877 .341 .407 .29 |
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Si12A .423 .130 .153 .29 |
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Si12B .591 .367 .164 .29 |
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O11A .110 .350 .231 .32 |
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O11B .907 .138 .217 .32 |
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O12A .385 .138 .462 .32 |
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O12B .599 .355 .477 .32 |
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O21A .208 .116 .352 .32 |
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O21B .777 .394 .374 .32 |
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O22A .128 .466 .397 .32 |
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O22B .834 .045 .362 .32 |
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O31A .387 .224 .084 .32 |
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O31B .645 .277 .112 .32 |
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O32A .477 .385 .141 .32 |
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O32B .545 .111 .170 .32 |
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WatA .137 .116 .134 .32 |
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WatB .880 .381 .112 .32 |
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| Download AMC data (View Text File)
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