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Willemite |
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Klaska K-H, Eck J C, Pohl D |
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Acta Crystallographica B34 (1978) 3324-3325 |
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New investigation of willemite |
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Locality: Synthetic |
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Note: Anisotropic displacement parameters are from ICSD |
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_database_code_amcsd 0009645 |
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13.948 13.948 9.315 90 90 120 R-3 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Zn1 .98257 .19167 .41535 .00089 .00094 .0013 .00044 .00007 -.00002 |
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Zn2 .97694 .19197 .08140 .00094 .00094 .0013 .00046 .00015 .00003 |
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Si .98393 .19557 .7494 .00041 .00046 .0005 .00025 .00021 .00003 |
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O1 .1104 .2164 .7505 .0008 .0016 .0013 .0010 .0001 .0003 |
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O2 -.0042 .3178 .7490 .0011 .0009 .0026 .0005 -.0006 -.0001 |
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O3 .9164 .1256 .8926 .0007 .0005 .0016 -.0003 -.0001 -.0001 |
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O4 .9227 .1283 .6036 .0012 .0011 .0012 .0003 .0002 .0005 |
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Niter |
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Adiwidjaja G, Pohl D |
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Acta Crystallographica C59 (2003) i139-i140 |
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Superstructure of a-phase potassium nitrate |
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Locality: synthetic |
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_database_code_amcsd 0010326 |
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10.825 18.351 6.435 90 90 90 Cmc2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 0 .41703 .2604 .0274 .0276 .0381 0 0 -.0011 |
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K2 .5 .41679 .2614 .0286 .0278 .0352 0 0 -.0009 |
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K3 .24980 .16670 .25104 .0262 .0280 .0366 0 .0004 .0008 |
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N1 0 .2483 .4215 .021 .030 .028 0 0 0 |
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N2 .5 .2469 .4208 .038 .036 .019 0 0 -.002 |
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N3 .2497 .4979 .0911 .026 .031 .024 .007 -.003 -.001 |
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O1 0 .1807 .4140 .038 .031 .059 0 0 .001 |
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O2 .5 .1788 .4138 .045 .025 .044 0 0 .002 |
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O3 .0999 .2830 .4206 .031 .047 .042 -.007 -.004 -.005 |
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O4 .3987 .2809 .4248 .026 .045 .059 .009 .003 -.010 |
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O5 .1506 .5313 .0984 .029 .036 .057 .002 -.004 -.001 |
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O6 .3479 .5321 .0896 .028 .037 .066 -.007 .006 .002 |
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O7 .2478 .4296 .0937 .045 .032 .052 -.003 .000 -.011 |
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Pucherite |
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Granzin J, Pohl D |
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Zeitschrift fur Kristallographie 169 (1969) 289-294 |
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Refinement of pucherite, BiVO4 |
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Locality: Schneeberg, Saxony |
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_database_code_amcsd 0018353 |
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5.328 5.052 12.003 90 90 90 Pnca |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Bi .25 0 .10960 .0089 .0070 .00150 -.0009 0 0 |
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V .25 0 .3938 .0091 .0058 .0014 .001 0 0 |
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O1 .083 .258 .4664 .006 .010 .0027 .004 -.0013 -.003 |
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O2 .458 .143 .3077 .010 .013 .0016 .000 .0009 .000 |
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Bendadaite |
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Kolitsch U, Atencio D, Chukanov N V, Zubkova N V, Menezes L A D, Coutinho J M V, |
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Birch W D, Schluter J, Pohl D, Kampf A R, Steele I M, Favreau G, Nasdala L, |
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Mockel S, Giester G, Pushcharovsky D Y |
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Mineralogical Magazine 74 (2010) 469-486 |
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Bendadaite, a new iron arsenate mineral of the arthurite group |
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Locality: Almerindo mine, Linopolis, Minas Gerais, Brazil |
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_database_code_amcsd 0015896 |
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10.200 9.718 5.5432 90 94.05 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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Fe(1) .0 .0 .0 .948 .01304 .01469 .01264 .01210 -.00285 .00241 -.00171 |
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Fe(2) .45715 .13679 .33999 .931 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
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Al(2) .45715 .13679 .33999 .040 .00815 .01042 .00689 .00716 .00032 .00074 .00007 |
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As .298182 .426870 .32898 .741 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
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P .298182 .426870 .32898 .263 .00792 .00861 .00787 .00738 .00010 .00130 .00012 |
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O(1) .39899 .48388 .11976 .0122 .0136 .0117 .0116 -.0013 .0025 -.0014 |
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O(2) .35684 .48686 .59650 .0137 .0166 .0126 .0117 -.0005 -.0010 .0010 |
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O(3) .15115 .48741 .2615 .0179 .0161 .0207 .0170 .0015 .0028 .0016 |
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O(4) .29959 .25662 .32143 .0140 .0160 .0125 .0136 .0026 .0007 -.0004 |
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Oh .54491 .23380 .08027 .0140 .0167 .0130 .0124 .0034 .0033 .0026 |
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Ow(1) .12925 -.09593 .2979 .0241 .0213 .0304 .0205 -.0039 .0002 -.0015 |
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Ow(2) .04589 .18779 .1498 .0298 .0248 .0224 .0420 -.0031 .0008 -.0145 |
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H .586 .176 .999 .039 |
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H11 .208 .915 .262 .057 |
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H12 .128 .941 .456 .056 |
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H21 .118 .211 .226 .061 |
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H22 .992 .247 .181 .057 |
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Sanromanite |
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Schluter J, Malcherek T, Pohl D |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 183 (2007) 117-121 |
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Sanromanite, from the Santa Rosa mine, Atacama desert, Chile, |
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a new mineral of the burbankite group |
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Locality: Santa Rosa mine, near Iquique, Chile |
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_database_code_amcsd 0014726 |
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10.5702 10.5702 6.6509 90 90 120 P6_3mc |
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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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NaA .52324 -.52324 .3199 2/3 .0152 .0112 .0112 .022 .0046 .0003 -.0003 |
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CaA .52324 -.52324 .3199 1/3 .0152 .0112 .0112 .022 .0046 .0003 -.0003 |
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PbB .84317 -.84317 0 .0198 .0183 .0183 .0223 .0087 .0002 -.0002 |
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C1 .7944 -.7944 .5496 .011 .009 .009 .014 .005 .000 -.000 |
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C2 1/3 2/3 .495 .013 .017 .017 .005 .009 0 0 |
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C3 0 0 .846 .010 .008 .008 .015 .004 0 0 |
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O1 .3848 .0868 .6406 .020 .021 .014 .022 .007 -.007 .005 |
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O2 .9304 -.9304 .3502 .022 .014 .014 .039 .008 .002 -.002 |
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O3 .4033 -.4033 .5071 .018 .020 .020 .016 .013 -.002 .002 |
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O4 .7722 -.7722 .3734 .019 .025 .025 .012 .017 -.002 .002 |
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Hermannroseite |
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Schluter J, Pohl D, Gebhard G |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 188 (2011) 135-140 |
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The new mineral hermannroseite, CaCu(PO4,AsO4)(OH), the phosphate analogue |
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of conichalcite, from Tsumeb, Namibia |
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Locality: Tsumeb, Namibia |
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_database_code_amcsd 0018396 |
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7.328 9.123 5.769 90 90 90 P2_12_12_1 |
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atom x y z occ Biso |
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Ca .623 .674 .486 3.5 |
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Cu .252 .497 .268 3.5 |
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P .629 .3310 .514 .5 3.5 |
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As .629 .3310 .514 .5 3.5 |
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O1 .421 .458 .548 3.5 |
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O2 .803 .452 .593 3.5 |
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O3 .365 .756 .264 3.5 |
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O4 .421 .735 .731 3.5 |
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OH5 .083 .559 .490 3.5 |
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Goldfieldite |
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Pohl D, Liessmann W, Okrugin V M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 1-8 |
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Rietveld analysis of selenium-bearing goldfieldites |
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Locality: Ozernoya deposit, Kamchatka, Russia |
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_database_code_amcsd 0014878 |
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10.321 10.321 10.321 90 90 90 I-43m |
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atom x y z occ |
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Cu1 .25 .5 0 .850 |
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Cu2 .209 0 0 .983 |
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Te .2628 .2628 .2628 .625 |
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Sb .2628 .2628 .2628 .25 |
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As .2628 .2628 .2628 .125 |
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S1 .120 .120 .360 .94 |
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Se1 .120 .120 .360 .06 |
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S2 0 0 0 .7 |
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Goldfieldite |
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Pohl D, Liessmann W, Okrugin V M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 1-8 |
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Rietveld analysis of selenium-bearing goldfieldites |
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Locality: Ozernoya deposit, Kamchatka, Russia |
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_database_code_amcsd 0014879 |
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10.338 10.338 10.338 90 90 90 I-43m |
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atom x y z occ |
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Cu1 .25 .5 0 |
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Cu2 .205 0 0 .7 |
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Te .2683 .2683 .2683 .7 |
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Sb .2683 .2683 .2683 .2 |
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As .2683 .2683 .2683 .075 |
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Bi .2683 .2683 .2683 .025 |
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S1 .110 .110 .356 .94 |
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Se1 .110 .110 .356 .06 |
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S2 0 0 0 .25 |
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Goldfieldite |
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Pohl D, Liessmann W, Okrugin V M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 1-8 |
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Rietveld analysis of selenium-bearing goldfieldites |
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Locality: Ozernoya deposit, Kamchatka, Russia |
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_database_code_amcsd 0014880 |
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10.341 10.341 10.341 90 90 90 I-43m |
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atom x y z occ |
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Cu1 .25 .5 0 |
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Cu2 .208 0 0 .667 |
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Te .2608 .2608 .2608 .7 |
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Sb .2608 .2608 .2608 .225 |
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As .2608 .2608 .2608 .05 |
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Bi .2608 .2608 .2608 .025 |
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S1 .107 .107 .354 .95 |
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Se1 .107 .107 .354 .05 |
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S2 0 0 0 .3 |
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Goldfieldite |
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Pohl D, Liessmann W, Okrugin V M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 1-8 |
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Rietveld analysis of selenium-bearing goldfieldites |
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Locality: Ozernoya deposit, Kamchatka, Russia |
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_database_code_amcsd 0014881 |
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10.334 10.334 10.334 90 90 90 I-43m |
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atom x y z occ |
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Cu1 .25 .5 0 .817 |
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Cu2 .214 0 0 .9 |
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Te .2636 .2636 .2636 .65 |
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Sb .2636 .2636 .2636 .175 |
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As .2636 .2636 .2636 .125 |
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Bi .2636 .2636 .2636 .05 |
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S1 .114 .114 .360 .95 |
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Se1 .114 .114 .360 .05 |
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S2 0 0 0 .45 |
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Goldfieldite |
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Pohl D, Liessmann W, Okrugin V M |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1996 (1996) 1-8 |
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Rietveld analysis of selenium-bearing goldfieldites |
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Locality: Ozernoya deposit, Kamchatka, Russia |
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_database_code_amcsd 0014882 |
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10.335 10.335 10.335 90 90 90 I-43m |
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atom x y z occ |
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Cu1 .25 .5 0 |
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Cu2 .196 0 0 .917 |
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Te .263 .263 .263 .675 |
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Sb .263 .263 .263 .225 |
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As .263 .263 .263 .1 |
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S1 .118 .118 .359 .93 |
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Se1 .118 .118 .359 .07 |
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| Download AMC data (View Text File)
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