Izoklakeite Armbruster T, Hummel W American Mineralogist 72 (1987) 821-831 (Sb,Bi,Pb) ordering in sulfosalts: Crystal-structure refinement of a Bi-rich izoklakeite _database_code_amcsd 0001112 34.221 37.933 4.063 90 90 90 Pnnm atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Bi1 .04827 .03469 .5 .6 1.43 .019 .022 .013 -.003 0 0 Pb1 .04827 .03469 .5 .4 1.43 .019 .022 .013 -.003 0 0 Sb2 .04388 .13345 0 .1 1.23 .015 .017 .015 .000 0 0 Bi2 .04388 .13345 0 .54 1.23 .015 .017 .015 .000 0 0 Pb2 .04388 .13345 0 .36 1.23 .015 .017 .015 .000 0 0 Pb3 .04165 .23059 .5 1.77 .028 .025 .014 -.001 0 0 Sb4 .04744 .35911 0 .45 2.02 .022 .030 .025 .000 0 0 Bi4 .04744 .35911 0 .33 2.02 .022 .030 .025 .000 0 0 Pb4 .04744 .35911 0 .22 2.02 .022 .030 .025 .000 0 0 Sb5 .04168 .46960 0 .37 4.0 .066 .064 .023 -.039 0 0 Bi5 .04168 .46960 0 .378 4.0 .066 .064 .023 -.039 0 0 Pb5 .04168 .46960 0 .252 4.0 .066 .064 .023 -.039 0 0 Pb6 .15005 .09886 .5 1.45 .018 .021 .016 -.002 0 0 Sb7 .14483 .19814 0 .22 1.37 .018 .022 .011 .001 0 0 Bi7 .14483 .19814 0 .47 1.37 .018 .022 .011 .001 0 0 Pb7 .14483 .19814 0 .31 1.37 .018 .022 .011 .001 0 0 Pb8 .13525 .30089 .5 2.20 .036 .027 .021 -.007 0 0 Pb9 .13874 .41790 .5 2.07 .031 .026 .021 .008 0 0 Pb10 .25127 .06784 0 1.54 .022 .023 .014 -.003 0 0 Sb11 .25315 .16123 .5 .05 1.50 .020 .020 .015 .000 0 0 Bi11 .25315 .16123 .5 .57 1.50 .020 .020 .015 .000 0 0 Pb11 .25315 .16123 .5 .38 1.50 .020 .020 .015 .000 0 0 Sb12 .24304 .25901 0 .27 1.32 .015 .020 .015 -.001 0 0 Bi12 .24304 .25901 0 .44 1.32 .015 .020 .015 -.001 0 0 Pb12 .24304 .25901 0 .29 1.32 .015 .020 .015 -.001 0 0 Pb13 .24578 .36087 .5 2.43 .022 .040 .030 .004 0 0 Sb14 .24619 .46486 0 .23 1.37 .017 .019 .016 .000 0 0 Bi14 .24619 .46486 0 .46 1.37 .017 .019 .016 .000 0 0 Pb14 .24619 .46486 0 .31 1.37 .017 .019 .016 .000 0 0 Bi15 .37498 .02710 0 .6 2.05 .030 .027 .021 -.004 0 0 Pb15 .37498 .02710 0 .4 2.05 .030 .027 .021 -.004 0 0 Pb16 .36226 .13691 0 1.80 .029 .022 .017 .000 0 0 Pb17 .36614 .24655 0 2.29 .039 .028 .020 .005 0 0 Sb18 .35015 .40773 0 .09 1.62 .023 .021 .012 -.002 0 0 Bi18 .35015 .40773 0 .55 1.62 .023 .021 .012 -.002 0 0 Pb18 .35015 .40773 0 .36 1.62 .023 .021 .012 -.002 0 0 Pb19 .35019 .50372 .5 1.42 .019 .022 .013 .001 0 0 Sb20 .45829 .08472 .5 2.0 .007 .042 .026 .002 0 0 Sb21 .45635 .19443 .5 .38 2.18 .025 .034 .024 -.001 0 0 Bi21 .45635 .19443 .5 .37 2.18 .025 .034 .024 -.001 0 0 Pb21 .45635 .19443 .5 .25 2.18 .025 .034 .024 -.001 0 0 Pb22 .43874 .33025 0 2.33 .025 .041 .023 .004 0 0 Sb23 .44998 .43673 .5 .23 1.51 .020 .022 .016 .000 0 0 Bi23 .44998 .43673 .5 .46 1.51 .020 .022 .016 .000 0 0 Pb23 .44998 .43673 .5 .31 1.51 .020 .022 .016 .000 0 0 Cu24 .3336 .3235 .5 .65 1.8 .030 .022 .019 .017 0 0 Fe24 .3336 .3235 .5 .35 1.8 .030 .022 .019 .017 0 0 S1 0 0 0 3.8 S2 -.0033 .1012 .5 2.0 S3 .4989 .3107 .5 1.0 S4 .0484 .3135 .5 2.1 S5 .0514 .4184 .5 2.4 S6 .0976 .0641 0 1.7 S7 .0903 .1656 .5 1.9 S8 .1006 .2534 0 1.3 S9 .1203 .3617 0 1.7 S10 .1178 .4738 0 1.6 S11 .1964 .0365 .5 1.9 S12 .1997 .1271 0 1.4 S13 .1881 .2253 .5 2.2 S14 .2040 .3164 0 1.4 S15 .2077 .4078 0 1.3 S16 .2057 .4950 .5 2.3 S17 .2951 .1048 .5 1.6 S18 .2939 .1888 0 1.2 S19 .2894 .2754 .5 2.3 S20 .3135 .3484 0 1.6 S21 .3023 .4352 .5 1.8 S22 .3861 .0811 .5 1.3 S23 .3821 .1890 .5 1.7 S24 .3910 .2927 .5 1.2 S25 .4008 .3827 .5 2.3 S26 .4052 .4738 0 2.1 S27 .4542 .0281 0 2.1 S28 .4520 .1335 0 2.7 S29 .4519 .2402 0 1.6