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Baumhauerite |
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Engel P, Nowacki W |
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Zeitschrift fur Kristallographie 129 (1969) 178-202 |
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Die kristallstruktur von baumhauerit |
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Locality: Lengenbach quarry, Binnatal, Canton Wallis, Switzerland |
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_database_code_amcsd 0010683 |
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22.800 8.357 7.894 90.05 97.27 89.92 P1 |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 .99722 .01234 .00207 .00113 .00761 .00894 .00002 .00063 .00112 |
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Pb2 .98837 .51371 .99218 .00114 .00924 .01440 -.00083 .00160 -.00410 |
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Pb3 .14993 .49630 .70959 .00090 .00818 .01088 .00007 .00020 .00162 |
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Pb4 .19567 .72499 .21280 .62 .00130 .00859 .00798 .00013 .00006 -.00033 |
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Pb5 .31987 .24012 .91001 .00089 .00793 .00759 .00008 .00023 -.00110 |
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Pb6 .46758 .26389 .63551 .00133 .00968 .01408 .00061 .00122 .00437 |
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Pb7 .46689 .75931 .61771 .00108 .00775 .00779 .00019 .00042 -.00049 |
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Pb8 .57264 .25874 .16392 .00131 .00830 .01355 .00048 -.00066 -.00328 |
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Pb9 .57147 .76397 .16169 .00119 .00745 .00869 .00028 .00039 .00129 |
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Pb10 .71343 .28134 .55976 .00082 .00797 .00805 .00026 .00029 .00082 |
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Pb11 .89142 .01788 .44725 .00124 .00773 .01333 .00048 .00047 -.00116 |
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Pb12 .89673 .52598 .47379 .00153 .00937 .01220 -.00078 -.00001 .00218 |
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As1 .0613 .20034 .45754 .00058 .00586 .00430 -.00010 .00010 -.00041 |
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As2 .04867 .75394 .42989 .00057 .00452 .00684 .00002 .00054 .00040 |
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As3 .16496 .25819 .16911 .00078 .00654 .00964 -.00028 .00104 -.00120 |
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As3' .17436 .69306 .16244 .4 .00096 .00806 .00696 -.00052 .00003 .00036 |
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As4a .15871 .96457 .82314 .4 .00126 .00962 .00179 -.00137 -.00067 .00263 |
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As4b .15613 .98658 .76606 .9 .00099 .00896 .01109 -.00067 .00033 -.00172 |
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As5a .28989 .75031 .88082 .5 .00118 .00344 .00508 -.00013 .00079 .00154 |
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As5b .29995 .71492 .84185 .4 .00110 .00649 .00684 .00041 .00128 .00243 |
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As6 .30542 .01312 .47445 .00053 .00510 .00513 .00006 .00043 .00047 |
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As7 .29058 .43084 .46697 .00103 .00596 .00522 .00034 .00003 .00092 |
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As8 .40611 .94175 .16754 .00058 .00490 .00464 .00015 .00006 .00057 |
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As9 .41722 .50234 .19231 .00045 .00470 .00541 -.00016 .00010 -.00067 |
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As10 .61603 .01319 .75859 .00049 .00510 .00559 -.00014 -.00005 -.00016 |
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As11 .62678 .56462 .75108 .00047 .00636 .00506 -.00035 .00034 -.00130 |
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As12 .74321 .76258 .50637 .00061 .00569 .00529 -.00047 -.00014 -.00040 |
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As13 .74033 .06375 .14174 .00088 .01093 .00772 -.00145 .00099 -.00447 |
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As14 .72534 .49807 .12387 .00053 .00564 .00590 .00001 -.00002 .00058 |
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As15 .84991 .27018 .87513 .00054 .00478 .00649 -.00022 -.00018 .00009 |
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As16 .83885 .79852 .87979 .00074 .01070 .00506 .00082 .00042 .00230 |
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S1 .02865 .97509 .59175 .00059 .00611 .00621 -.00007 -.00008 .00022 |
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S2 .02245 .56137 .59133 .00061 .00703 .00589 .00009 -.00017 .00076 |
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S3 .11987 .05341 .30102 .00092 .00701 .00798 .00008 .00090 -.00040 |
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S4 .12148 .47452 .27470 .00073 .00737 .00878 .00046 .00046 .00075 |
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S5 .10880 .23524 .91820 .00157 .01278 .00749 -.00205 .00020 .00025 |
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S6 .10840 .76606 .94260 .00091 .01056 .00646 .00038 -.00020 .00123 |
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S7 .23442 .26714 .60294 .00058 .00722 .00766 .00018 .00006 -.00049 |
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S8 .22878 .75214 .62364 .00129 .00908 .00809 -.00087 .00035 .00281 |
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S9 .24210 .97248 .00874 .00090 .00782 .00900 -.00024 -.00001 -.00060 |
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S10 .24525 .53125 .00604 .00149 .00814 .00908 -.00065 -.00096 .00147 |
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S11 .34561 .23122 .34599 .00098 .00704 .00653 .00033 .00074 .00047 |
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S12 .35025 .80361 .33524 .00092 .00594 .00752 -.00036 .00068 -.00148 |
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S13 .37067 .00586 .71405 .00078 .00557 .00479 .00083 -.00042 -.00087 |
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S14 .36052 .49747 .68640 .00109 .00614 .00669 -.00052 -.00004 -.00037 |
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S15 .44361 .30565 .02747 .00062 .00731 .00457 -.00038 .00036 .00022 |
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S16 .43934 .72109 .02981 .00079 .00608 .0058 .00002 .00026 -.00051 |
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S17 .48623 .99017 .35120 .0007 .00567 .00443 -.00016 -.00021 .00042 |
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S18 .49779 .50618 .38695 .00094 .00458 .00391 .00048 -.00020 -.00034 |
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S19 .53521 .00532 .89730 .00084 .00604 .00862 .00025 .00084 -.00005 |
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S20 .54584 .52126 .87405 .00062 .00619 .00735 -.00023 .00061 -.00083 |
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S21 .58648 .20691 .57477 .00046 .00692 .00488 -.00003 .00002 .00001 |
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S22 .59387 .78990 .58332 .00074 .00645 .00539 .00026 .00053 .00021 |
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S23 .66578 .02063 .29441 .00074 .00625 .00586 .00009 .00026 .00051 |
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S24 .65989 .50208 .31701 .00073 .0071 .00407 .00001 .00005 .00027 |
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S25 .68549 .28847 .96032 .00123 .00495 .00687 -.00075 .00083 -.00096 |
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S26 .68119 .71020 .95805 .00063 .00551 .00687 .00004 -.00012 .00035 |
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S27 .78756 .9641 .68141 .00103 .00426 .00701 .00048 .00010 .00006 |
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S28 .79002 .55828 .65943 .00068 .00541 .00822 .00000 -.00029 -.00042 |
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S29 .79464 .23463 .32297 .00055 .00676 .00519 -.00001 .00045 -.00052 |
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S30 .80247 .78171 .29720 .00126 .01018 .0052 -.00127 .00045 -.00255 |
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S31 .87489 .04028 .03876 .00065 .00546 .00464 -.00049 -.00003 -.00048 |
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S32 .87454 .46814 .05413 .0009 .00661 .00615 .00039 .00016 .00080 |
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S33 .92923 .26595 .72923 .00085 .00575 .00651 -.00005 .00011 .00107 |
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S34 .92304 .76875 .75643 .00071 .00659 .00382 -.00024 .00016 -.00082 |
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S35 .98090 .24390 .27336 .00069 .00576 .00539 .00055 .00005 -.00030 |
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S36 .96679 .76363 .23661 .00103 .00735 .00482 -.00001 -.00035 -.00025 |
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View JMOL 3-D Structure (permalink)
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