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9Al2O3.2B2O3 |
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Garsche M, Tillmanns E, Almen H, Schneider H, Kupcik V |
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European Journal of Mineralogy 3 (1991) 793-808 |
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Incorporation of chromium into aluminium borate |
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9Al2O3.2B2O3 (A9B2) |
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Sample: Rietveld refinement of AgB2 |
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_database_code_amcsd 0006430 |
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7.6942 15.0110 5.6689 90 90 90 A2_1am |
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atom x y z occ Biso |
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B .722 .0256 0 .33 |
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Al1 .5 .3825 .2455 .98 .35 |
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B1 .5 .3825 .2455 .02 .35 |
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Al2 .6886 .2445 .5 .98 .41 |
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B2 .6886 .2445 .5 .02 .41 |
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Al3 .6830 .0554 .5 .98 .37 |
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B3 .6830 .0554 .5 .02 .37 |
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Al4 .8337 .2955 0 .98 .37 |
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B4 .8337 .2955 0 .02 .37 |
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O1 .7853 .0504 .2116 .58 |
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O2 .7013 .3056 .2447 .48 |
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O3 .5367 .1517 .5 .53 |
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O4 .9357 .1910 0 .40 |
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O5 .8753 .1711 .5 .57 |
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O6 .5721 .4573 0 .57 |
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O7 .5927 .4523 .5 .43 |
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Aluminium Borate |
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Garsche M, Tillmanns E, Almen H, Schneider H, Kupcik V |
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European Journal of Mineralogy 3 (1991) 793-808 |
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Incorporation of chromium into aluminium borate |
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9Al2O3*2B2O3 (A9B2) |
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Sample: Single crystal structure refinement of AgB2+Cr |
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_database_code_amcsd 0006431 |
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7.71 15.07 5.70 90 90 90 A2_1am |
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atom x y z occ Biso |
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B .726 .0160 0 .66 |
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Al1 .5 .3837 .2481 .90 .45 |
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Cr1 .5 .3837 .2481 .08 .45 |
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B1 .5 .3837 .2481 .02 .45 |
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Al2 .6877 .2447 .5 .62 |
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Al3 .6849 .0563 .5 .33 |
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Al4 .8353 .2970 0 .38 |
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O1 .785 .0483 .211 .78 |
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O2 .705 .3100 .244 .65 |
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O3 .537 .1495 .5 .78 |
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O4 .937 .1926 0 .68 |
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O5 .869 .1702 .5 .74 |
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O6 .573 .4554 0 .48 |
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O7 .599 .4537 .5 .64 |
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Rajite |
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Hanke K, Kupcik V, Lindqvist O |
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Acta Crystallographica B29 (1973) 963-970 |
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The crystal structure of CuTe2O5 |
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Locality: synthetic |
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_database_code_amcsd 0009478 |
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6.871 9.322 7.602 90 109.08 90 P2_1/c |
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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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Cu .34117 .48715 .29408 .0106 .0063 .0088 -.0016 .0052 -.0009 |
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Te1 .13182 .19969 .08684 .00799 .00737 .00833 -.00093 .00415 -.00073 |
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Te2 .65120 .32349 .05685 .00892 .00670 .00663 .00025 .00256 -.00005 |
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O1 .5015 .1056 .3232 .0099 .0106 .0106 .0010 .0025 -.0033 |
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O2 .8956 .1818 .4649 .0085 .0155 .0111 -.0025 .0053 -.0026 |
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O3 .3185 .3483 .0931 .0113 .0108 .0111 -.0044 .0060 -.0034 |
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O4 .1327 .3722 .3560 .0146 .0127 .0116 -.0030 .0068 .0037 |
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O5 .6150 .3726 .5067 .0191 .0062 .0112 .0014 .0057 -.0017 |
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Cu4Bi4S9 |
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Bente K, Kupcik V |
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Acta Crystallographica C40 (1984) 1985-1986 |
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Redetermination and refinement of the structure of |
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tetrabismuth tetracopper enneasulphide Cu4Bi4S9 |
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Locality: Synthetic |
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_database_code_amcsd 0018395 |
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31.68 11.659 3.972 90 90 90 Pbnm |
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atom x y z occ Biso |
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Cul .1353 .3833 .75 1.33 |
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Cu2 .1912 .3360 .25 2.13 |
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Cu3 .3048 .4245 .25 2.48 |
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Cu4 .4808 .3634 .25 .5 3.2 |
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Cu5 .4834 .4136 .25 .5 .8 |
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Bil .0278 .3670 .75 .98 1.22 |
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Bi2 .0903 .0987 .25 .98 1.41 |
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Bi3 .2786 .1385 .25 .98 1.20 |
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Bi4 .3908 .2324 .75 .98 1.09 |
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S1 .0206 .1313 .75 .9 |
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S2 .0987 .3244 .25 .9 |
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S3 .1542 .0931 .75 .7 |
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S4 .1922 .2410 .75 .8 |
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S5 .2357 .4852 .25 .8 |
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S6 .3150 .3169 .75 .8 |
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S7 .3570 .0773 .25 .6 |
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S8 .4113 .3895 .25 .8 |
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S9 .4700 .1202 .25 .9 |
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Muckeite |
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Bente K, Doering T, Edenharter A, Kupcik V, Steins M, Wendschuh-Josties M |
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Acta Crystallographica C46 (1990) 127-128 |
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Structure of the new mineral muckeite, BiCuNiS3 |
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_database_code_amcsd 0010090 |
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7.514 12.557 4.8880 90 90 90 P2_12_12_1 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sb .37685 .13292 .93528 .1 1.8 .00882 .00266 .01825 .00017 .00008 -.00016 |
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Bi .37685 .13292 .93528 .9 1.8 .00882 .00266 .01825 .00017 .00008 -.00016 |
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CuM1 .38250 .43787 .97540 .5 2.3 .01014 .00329 .02693 .00035 -.00031 .00032 |
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NiM1 .38250 .43787 .97540 .5 2.3 .01014 .00329 .02693 .00035 -.00031 .00032 |
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CuM2 .12824 .25020 .50418 .5 1.6 .00767 .00232 .01695 -.00028 .00092 .00007 |
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NiM2 .12824 .25020 .50418 .5 1.6 .00767 .00232 .01695 -.00028 .00092 .00007 |
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S1 .1289 .40728 .7166 1.9 .00917 .00241 .0217 -.00035 -.0043 -.00011 |
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S2 .37848 .29743 .2816 1.8 .00731 .00298 .0202 -.00027 .0003 .00036 |
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S3 .1262 .09262 .2901 1.9 .00903 .00229 .0220 -.00026 .0050 -.00049 |
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Kermesite |
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Kupcik V |
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Naturwissenschaften 54 (1967) 114-114 |
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Die kristallstruktur des kermesits, Sb2S2O |
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_database_code_amcsd 0014693 |
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20.971 8.16 20.378 90 101.5 90 F-1 |
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atom x y z Biso |
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SbI .1017 .7503 .1844 .89 |
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SbI' .3517 .0003 .1844 .89 |
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SbII .0964 .2485 .1849 .96 |
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SbII' .3464 .4985 .1849 .96 |
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SbIII .1945 .0004 .0727 1.32 |
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SbIII' .4445 .2504 .0727 1.32 |
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SbIV .1909 .5022 .0419 1.33 |
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SbIV' .4409 .7522 .0419 1.33 |
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SI .1974 .2604 .1482 1.28 |
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SI' .4474 .5104 .1482 1.28 |
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SII .2068 .7477 .1553 1.09 |
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SII' .4568 .9977 .1553 1.09 |
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SIII .0788 .0031 .0449 .8 |
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SIII' .3288 .2531 .0449 .8 |
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SIV .0799 .4887 .0461 1.26 |
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SIV' .3299 .7387 .0461 1.26 |
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OI .1176 -.0172 .2125 1.79 |
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OI' .3676 .2328 .2125 1.79 |
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OII .1295 .4786 .2156 1.15 |
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OII' .3795 .7286 .2156 1.15 |
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Eclarite |
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Kupcik V |
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Tschermaks Mineralogische und Petrographische Mitteilungen 32 (1984) 259-269 |
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Die kristallstruktur des minerals eclarit, (Cu,Fe)Pb9Bi12S28 |
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_database_code_amcsd 0015698 |
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54.760 4.030 22.75 90 90 90 Pnma |
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atom x y z occ Biso |
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Cu .3055 .75 .139 .6 3.2 |
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Fe .3055 .75 .139 .4 3.2 |
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Pb1 .0084 .25 .2346 2.2 |
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Pb2 .1163 .75 .0035 2.5 |
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Pb3 .1791 .75 .1177 2.3 |
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Pb4 .1842 .75 .3158 2.1 |
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Pb5 .2495 .75 .2065 1.8 |
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Pb6 .3216 .25 .0004 3.1 |
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Pb7 .3693 .25 .1382 3.1 |
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Pb8 .4301 .25 .0340 3.1 |
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Pb9 .0260 .25 .0445 .2 3.1 |
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Pb10 .0060 .25 .4211 .2 1.8 |
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Pb11 .3793 .75 .3274 .2 1.8 |
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Pb12 .4377 .75 .2054 .2 1.3 |
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Pb13 .4412 .25 .3674 .2 1.5 |
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Bi1 .0701 .75 .1481 1.4 |
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Bi2 .0658 .75 .3308 1.2 |
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Bi3 .1256 .25 .2221 1.7 |
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Bi4 .1231 .25 .4092 1.5 |
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Bi5 .2451 .25 .0357 1.6 |
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Bi6 .2513 .25 .3754 2.0 |
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Bi7 .3162 .25 .2798 1.5 |
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Bi8 .3197 .75 .4426 1.2 |
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BiMe1 .0260 .25 .0445 .68 3.1 |
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SbMe1 .0260 .25 .0445 .12 3.1 |
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BiMe2 .0060 .25 .4211 .68 1.8 |
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SbMe2 .0060 .25 .4211 .12 1.8 |
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BiMe3 .3793 .75 .3274 .68 1.8 |
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SbMe3 .3793 .75 .3274 .12 1.8 |
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BiMe4 .4377 .75 .2054 .68 1.3 |
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SbMe4 .4377 .75 .2054 .12 1.3 |
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BiMe5 .4412 .25 .3674 .68 1.5 |
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SbMe5 .4412 .25 .3674 .12 1.5 |
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S1 .0223 .75 .136 1.10 |
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S2 .0190 .75 .324 1.20 |
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S3 .0752 .25 .067 1.50 |
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S4 .0645 .25 .240 2.10 |
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S5 .0654 .25 .416 1.00 |
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S6 .1255 .75 .140 1.20 |
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S7 .1251 .75 .316 1.80 |
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S8 .1230 .75 .489 1.90 |
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S9 .1532 .25 .036 .60 |
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S10 .1725 .25 .218 1.30 |
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S11 .1708 .25 .409 2.00 |
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S12 .2213 .25 .136 1.30 |
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S13 .2258 .25 .284 .40 |
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S14 .2236 .75 .418 1.10 |
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S15 .2750 .75 .062 1.20 |
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S16 .2928 .25 .183 1.00 |
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S17 .2853 .75 .323 1.30 |
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S18 .2912 .25 .487 1.40 |
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S19 .3401 .75 .080 1.40 |
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S20 .3468 .75 .232 2.40 |
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S21 .3532 .25 .394 1.50 |
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S22 .4082 .75 .104 2.10 |
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S23 .4051 .25 .269 1.20 |
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S24 .4111 .75 .420 2.90 |
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S25 .4758 .75 .035 2.30 |
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S26 .4646 .25 .164 1.60 |
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S27 .4663 .75 .307 1.50 |
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S28 .4733 .25 .462 2.90 |
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