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Izoklakeite |
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Armbruster T, Hummel W |
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American Mineralogist 72 (1987) 821-831 |
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(Sb,Bi,Pb) ordering in sulfosalts: Crystal-structure refinement of a Bi-rich |
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izoklakeite |
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_database_code_amcsd 0001112 |
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34.221 37.933 4.063 90 90 90 Pnnm |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .04827 .03469 .5 .6 1.43 .019 .022 .013 -.003 0 0 |
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Pb1 .04827 .03469 .5 .4 1.43 .019 .022 .013 -.003 0 0 |
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Sb2 .04388 .13345 0 .1 1.23 .015 .017 .015 .000 0 0 |
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Bi2 .04388 .13345 0 .54 1.23 .015 .017 .015 .000 0 0 |
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Pb2 .04388 .13345 0 .36 1.23 .015 .017 .015 .000 0 0 |
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Pb3 .04165 .23059 .5 1.77 .028 .025 .014 -.001 0 0 |
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Sb4 .04744 .35911 0 .45 2.02 .022 .030 .025 .000 0 0 |
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Bi4 .04744 .35911 0 .33 2.02 .022 .030 .025 .000 0 0 |
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Pb4 .04744 .35911 0 .22 2.02 .022 .030 .025 .000 0 0 |
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Sb5 .04168 .46960 0 .37 4.0 .066 .064 .023 -.039 0 0 |
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Bi5 .04168 .46960 0 .378 4.0 .066 .064 .023 -.039 0 0 |
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Pb5 .04168 .46960 0 .252 4.0 .066 .064 .023 -.039 0 0 |
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Pb6 .15005 .09886 .5 1.45 .018 .021 .016 -.002 0 0 |
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Sb7 .14483 .19814 0 .22 1.37 .018 .022 .011 .001 0 0 |
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Bi7 .14483 .19814 0 .47 1.37 .018 .022 .011 .001 0 0 |
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Pb7 .14483 .19814 0 .31 1.37 .018 .022 .011 .001 0 0 |
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Pb8 .13525 .30089 .5 2.20 .036 .027 .021 -.007 0 0 |
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Pb9 .13874 .41790 .5 2.07 .031 .026 .021 .008 0 0 |
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Pb10 .25127 .06784 0 1.54 .022 .023 .014 -.003 0 0 |
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Sb11 .25315 .16123 .5 .05 1.50 .020 .020 .015 .000 0 0 |
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Bi11 .25315 .16123 .5 .57 1.50 .020 .020 .015 .000 0 0 |
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Pb11 .25315 .16123 .5 .38 1.50 .020 .020 .015 .000 0 0 |
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Sb12 .24304 .25901 0 .27 1.32 .015 .020 .015 -.001 0 0 |
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Bi12 .24304 .25901 0 .44 1.32 .015 .020 .015 -.001 0 0 |
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Pb12 .24304 .25901 0 .29 1.32 .015 .020 .015 -.001 0 0 |
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Pb13 .24578 .36087 .5 2.43 .022 .040 .030 .004 0 0 |
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Sb14 .24619 .46486 0 .23 1.37 .017 .019 .016 .000 0 0 |
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Bi14 .24619 .46486 0 .46 1.37 .017 .019 .016 .000 0 0 |
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Pb14 .24619 .46486 0 .31 1.37 .017 .019 .016 .000 0 0 |
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Bi15 .37498 .02710 0 .6 2.05 .030 .027 .021 -.004 0 0 |
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Pb15 .37498 .02710 0 .4 2.05 .030 .027 .021 -.004 0 0 |
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Pb16 .36226 .13691 0 1.80 .029 .022 .017 .000 0 0 |
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Pb17 .36614 .24655 0 2.29 .039 .028 .020 .005 0 0 |
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Sb18 .35015 .40773 0 .09 1.62 .023 .021 .012 -.002 0 0 |
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Bi18 .35015 .40773 0 .55 1.62 .023 .021 .012 -.002 0 0 |
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Pb18 .35015 .40773 0 .36 1.62 .023 .021 .012 -.002 0 0 |
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Pb19 .35019 .50372 .5 1.42 .019 .022 .013 .001 0 0 |
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Sb20 .45829 .08472 .5 2.0 .007 .042 .026 .002 0 0 |
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Sb21 .45635 .19443 .5 .38 2.18 .025 .034 .024 -.001 0 0 |
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Bi21 .45635 .19443 .5 .37 2.18 .025 .034 .024 -.001 0 0 |
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Pb21 .45635 .19443 .5 .25 2.18 .025 .034 .024 -.001 0 0 |
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Pb22 .43874 .33025 0 2.33 .025 .041 .023 .004 0 0 |
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Sb23 .44998 .43673 .5 .23 1.51 .020 .022 .016 .000 0 0 |
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Bi23 .44998 .43673 .5 .46 1.51 .020 .022 .016 .000 0 0 |
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Pb23 .44998 .43673 .5 .31 1.51 .020 .022 .016 .000 0 0 |
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Cu24 .3336 .3235 .5 .65 1.8 .030 .022 .019 .017 0 0 |
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Fe24 .3336 .3235 .5 .35 1.8 .030 .022 .019 .017 0 0 |
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S1 0 0 0 3.8 |
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S2 -.0033 .1012 .5 2.0 |
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S3 .4989 .3107 .5 1.0 |
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S4 .0484 .3135 .5 2.1 |
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S5 .0514 .4184 .5 2.4 |
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S6 .0976 .0641 0 1.7 |
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S7 .0903 .1656 .5 1.9 |
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S8 .1006 .2534 0 1.3 |
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S9 .1203 .3617 0 1.7 |
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S10 .1178 .4738 0 1.6 |
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S11 .1964 .0365 .5 1.9 |
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S12 .1997 .1271 0 1.4 |
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S13 .1881 .2253 .5 2.2 |
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S14 .2040 .3164 0 1.4 |
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S15 .2077 .4078 0 1.3 |
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S16 .2057 .4950 .5 2.3 |
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S17 .2951 .1048 .5 1.6 |
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S18 .2939 .1888 0 1.2 |
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S19 .2894 .2754 .5 2.3 |
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S20 .3135 .3484 0 1.6 |
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S21 .3023 .4352 .5 1.8 |
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S22 .3861 .0811 .5 1.3 |
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S23 .3821 .1890 .5 1.7 |
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S24 .3910 .2927 .5 1.2 |
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S25 .4008 .3827 .5 2.3 |
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S26 .4052 .4738 0 2.1 |
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S27 .4542 .0281 0 2.1 |
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S28 .4520 .1335 0 2.7 |
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S29 .4519 .2402 0 1.6 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Izoklakeite |
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Makovicky E, Mumme W G |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 153 (1986) 121-145 |
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The crystal structure of izoklakeite, Pb51.3Sb20.4Bi19.5Ag1.2Cu2.9Fe0.7S114. |
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The kobellite homologous series and its derivatives |
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Locality: Vena, Sweden |
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_database_code_amcsd 0018392 |
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34.07 37.98 4.072 90 90 90 Pnnm |
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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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Pb1 .0486 .0345 .5 .80 .0001 .0003 .079 .0001 0 0 |
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Bi1 .0486 .0345 .5 .20 .0001 .0003 .079 .0001 0 0 |
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Pb2 .0441 .1336 0 .60 .0004 .0004 .053 -.0001 0 0 |
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Bi2 .0441 .1336 0 .40 .0004 .0004 .053 -.0001 0 0 |
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Pb3 .0417 .2315 .5 .80 .0004 .0005 .079 .0001 0 0 |
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Bi3 .0417 .2315 .5 .20 .0004 .0005 .079 .0001 0 0 |
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Sb4 .0488 .3595 0 .65 .0002 .0004 .057 -.0002 0 0 |
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Bi4 .0488 .3595 0 .35 .0002 .0004 .057 -.0002 0 0 |
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Sb5 .0412 .4687 0 .85 .0005 .0006 .091 -.0003 0 0 |
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Bi5 .0412 .4687 0 .15 .0005 .0006 .091 -.0003 0 0 |
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Pb6 .1514 .0989 .5 .0003 .0004 .071 -.0001 0 0 |
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Bi7 .1456 .1992 0 .60 .0003 .0004 .075 .0003 0 0 |
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Sb7 .1456 .1992 0 .40 .0003 .0004 .075 .0003 0 0 |
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Pb8 .1351 .3011 .5 .0005 .0004 .083 -.0002 0 0 |
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Pb9 .1395 .4182 .5 .0002 .0004 .075 .0001 0 0 |
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Pb10 .2520 .0669 0 .0002 .0001 .072 .0000 0 0 |
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Bi11 .2539 .1609 .5 .60 .0002 .0004 .100 -.0002 0 0 |
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Sb11 .2539 .1609 .5 .40 .0002 .0004 .100 -.0002 0 0 |
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Bi12 .2426 .2588 0 .60 .0002 .0004 .061 .0002 0 0 |
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Sb12 .2426 .2588 0 .40 .0002 .0004 .061 .0002 0 0 |
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Pb13 .2479 .3602 .5 .0002 .0004 .072 .0001 0 0 |
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Bi14 .2452 .4633 0 .45 .0004 .0003 .079 .0000 0 0 |
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Sb14 .2452 .4633 0 .55 .0004 .0003 .079 .0000 0 0 |
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Pb15 .3743 .0269 0 .0002 .0003 .017 .0000 0 0 |
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Pb16 .3629 .1369 0 .0003 .0003 .081 .0000 0 0 |
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Pb17 .3660 .2472 0 .0006 .0004 .074 .0003 0 0 |
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Bi18 .3502 .4066 0 .55 .0002 .0001 .101 -.0001 0 0 |
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Sb18 .3502 .4066 0 .45 .0002 .0001 .101 -.0001 0 0 |
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Pb19 .3506 .5025 .5 .0002 .0004 .057 .0000 0 0 |
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Sb20 .4594 .0849 .5 .0002 .0009 .120 .0000 0 0 |
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Sb21 .4567 .1941 .5 .60 .0002 .0005 .063 .0000 0 0 |
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Bi21 .4567 .1941 .5 .40 .0002 .0005 .063 .0000 0 0 |
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Pb22 .4398 .3321 0 .0003 .0005 .072 .0001 0 0 |
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Pb23 .4500 .4317 .5 .60 .0002 .0005 .106 .0000 0 0 |
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Bi23 .4500 .4317 .5 .40 .0002 .0005 .106 .0000 0 0 |
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Cu24 .3299 .3237 .5 .74 .0010 .0006 .022 -.0004 0 0 |
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Fe24 .3299 .3237 .5 .18 .0010 .0006 .022 -.0004 0 0 |
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Ag24 .3299 .3237 .5 .08 .0010 .0006 .022 -.0004 0 0 |
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S1 0 0 0 5.5 |
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S2 -.0053 .1040 .5 6.5 |
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S3 .5041 .3056 .5 1.6 |
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S4 .0550 .3167 .5 .4 |
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S5 .0425 .4192 .5 1.8 |
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S6 .0954 .0616 0 2.6 |
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S7 .1056 .1637 .5 .1 |
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S8 .0981 .2508 0 .1 |
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S9 .1192 .3682 0 1.7 |
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S10 .1175 .4765 0 7.7 |
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S11 .1979 .0366 .5 .5 |
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S12 .1986 .1231 .0 2.2 |
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S13 .1849 .2288 .5 2.5 |
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S14 .2062 .3199 0 1.5 |
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S15 .2096 .4063 0 2.4 |
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S16 .2047 .4897 .5 .4 |
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S17 .2905 .1050 .5 1.1 |
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S18 .2892 .1867 0 .6 |
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S19 .2901 .2733 .5 .1 |
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S20 .3178 .3459 0 .5 |
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S21 .2974 .4329 .5 1.7 |
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S22 .3869 .0788 .5 .5 |
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S23 .3796 .1886 .5 .7 |
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S24 .3982 .2942 .5 4.6 |
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S25 .4013 .3841 .5 .4 |
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S26 .4077 .4732 0 3.1 |
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S27 .4578 .0288 0 1.4 |
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S28 .4418 .1340 0 4.9 |
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S29 .4577 .2401 0 2.7 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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