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Neyite |
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Makovicky E, Balic-Zunic T, Topa D |
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The Canadian Mineralogist 39 (2001) 1365-1376 |
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The crystal structure of neyite, Ag2Cu6Pb25Bi26S68 |
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_database_code_amcsd 0005753 |
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37.527 4.0705 43.701 90 108.801 90 C2/m |
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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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Bi1 .09485 0 .94977 .87 .02658 .02940 .02369 .02781 0 .01082 0 |
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Pb1 .09485 0 .94977 .13 .02658 .02940 .02369 .02781 0 .01082 0 |
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Bi2 .43197 0 .13675 .76 .02881 .03259 .02462 .02950 0 .01038 0 |
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Pb2 .43197 0 .13675 .24 .02881 .03259 .02462 .02950 0 .01038 0 |
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Pb3 .31775 0 .07448 .03058 .03180 .02571 .03291 0 .00858 0 |
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Bi4 .20505 0 .01414 .40 .02819 .03017 .02364 .02947 0 .00783 0 |
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Pb4 .20505 0 .01414 .60 .02819 .03017 .02364 .02947 0 .00783 0 |
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Bi5 .04111 0 .77668 .62 .02845 .02971 .02479 .03062 0 .00939 0 |
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Pb5 .04111 0 .77668 .38 .02845 .02971 .02479 .03062 0 .00939 0 |
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Pb6 .15591 0 .83870 .58 .02825 .03044 .02626 .02916 0 .01113 0 |
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Bi6 .15591 0 .83870 .32 .02825 .03044 .02626 .02916 0 .01113 0 |
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Ag6 .15591 0 .83870 .096 .02825 .03044 .02626 .02916 0 .01113 0 |
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Pb7 .27003 0 .90052 .56 .03155 .03404 .02748 .03314 0 .01085 0 |
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Bi7 .27003 0 .90052 .44 .03155 .03404 .02748 .03314 0 .01085 0 |
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Bi8 .48389 0 .30940 .02746 .02786 .02338 .03039 0 .00837 0 |
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Pb9 .37102 0 .24759 .69 .02893 .02831 .02491 .03309 0 .00922 0 |
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Bi9 .37102 0 .24759 .21 .02893 .02831 .02491 .03309 0 .00922 0 |
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Ag9 .37102 0 .24759 .105 .02893 .02831 .02491 .03309 0 .00922 0 |
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Bi10 .25656 0 .18688 .67 .02984 .03329 .02543 .03106 0 .01075 0 |
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Pb10 .25656 0 .18688 .33 .02984 .03329 .02543 .03106 0 .01075 0 |
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Bi11 .09861 0 .66520 .74 .03115 .03421 .02729 .03160 0 .01014 0 |
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Pb11 .09861 0 .66520 .06 .03115 .03421 .02729 .03160 0 .01014 0 |
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Ag11 .09861 0 .66520 .199 .03115 .03421 .02729 .03160 0 .01014 0 |
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Bi12 .21150 0 .72539 .90 .02773 .03095 .02523 .02981 0 .01366 0 |
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Pb12 .21150 0 .72539 .10 .02773 .03095 .02523 .02981 0 .01366 0 |
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Bi13 .40313 0 .52831 .73 .02594 .02756 .02246 .02770 0 .00876 0 |
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Pb13 .40313 0 .52831 .27 .02594 .02756 .02246 .02770 0 .00876 0 |
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Pb14 .29628 0 .54313 .03116 .03273 .02698 .03488 0 .01244 0 |
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Bi15 .18405 0 .53673 .97 .02661 .02807 .02379 .02739 0 .00811 0 |
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Pb15 .18405 0 .53673 .03 .02661 .02807 .02379 .02739 0 .00811 0 |
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Bi16 .08231 0 .55326 .62 .03150 .03376 .02467 .04061 0 .01830 0 |
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Pb16 .08231 0 .55326 .24 .03150 .03376 .02467 .04061 0 .01830 0 |
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Ag16 .08231 0 .55326 .137 .03150 .03376 .02467 .04061 0 .01830 0 |
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Bi17 .37470 0 .85626 .94 .03317 .03488 .02888 .03594 0 .01166 0 |
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Pb17 .37470 0 .85626 .06 .03317 .03488 .02888 .03594 0 .01166 0 |
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Pb18 .33236 0 .75102 .03455 .03931 .02629 .03668 0 .01034 0 |
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Bi19 .31808 0 .65130 .03024 .03385 .02470 .03407 0 .01360 0 |
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Bi20 .02902 0 .08656 .03698 .04216 .02745 .03636 0 .00574 0 |
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Bi21 .06808 0 .19264 .03264 .03612 .02708 .03431 0 .01078 0 |
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Pb22 .07804 0 .28881 .03963 .05235 .02915 .03493 0 .01064 0 |
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Pb23 .10255 0 .38733 .03113 .03386 .02364 .03605 0 .01148 0 |
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Pb24 .38789 0 .95725 .04788 .05105 .03752 .04466 0 .00092 0 |
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Pb25 .00264 0 .41019 .04144 .03531 .03068 .05300 0 .00681 0 |
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Pb26 .32008 0 .37164 .04614 .04594 .03660 .05878 0 .02089 0 |
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Ag1 .50000 0 .50000 .05817 .05235 .08567 .03271 0 .00844 0 |
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Cu1 .46888 0 .01065 .04445 .03832 .04203 .04918 0 .00881 0 |
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Cu2 .23194 0 .30895 .04397 .03775 .03468 .05888 0 .01476 0 |
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Cu3 .74956 0 .59064 .04124 .03167 .03338 .05584 0 .01017 0 |
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S1 .06509 0 -.00405 .02532 .03437 .02061 .02830 0 .02029 0 |
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S2 .45381 0 .08328 .02675 .02563 .02987 .02693 0 .01151 0 |
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S3 .35138 0 .01729 .03397 .02988 .02977 .03741 0 .00411 0 |
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S4 .02053 0 .83397 .03138 .02788 .02845 .03684 0 .00907 0 |
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S5 .12798 0 .89323 .02959 .02887 .02965 .03067 0 .01017 0 |
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S6 .24064 0 .95702 .03191 .03161 .03263 .03362 0 .01346 0 |
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S7 .49131 0 .74704 .03316 .02811 .03496 .03601 0 .00979 0 |
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S8 .39963 0 .19231 .02885 .02930 .02925 .03025 0 .01275 0 |
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S9 .28778 0 .12866 .02820 .03069 .02694 .02876 0 .01204 0 |
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S10 .17830 0 .06508 .02925 .02837 .02279 .04126 0 .01771 0 |
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S11 .03077 0 .33529 .02974 .02492 .02256 .03777 0 .00457 0 |
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S12 .07383 0 .72412 .02869 .02480 .02734 .03125 0 .00530 0 |
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S13 .18465 0 .78494 .03052 .03292 .02875 .03438 0 .01708 0 |
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S14 .29140 0 .84375 .03138 .02667 .03315 .03760 0 .01492 0 |
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S15 .45320 0 .35905 .02913 .02479 .03417 .02797 0 .00785 0 |
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S16 .34311 0 .30519 .03231 .02638 .02703 .03696 0 .00106 0 |
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S17 .23804 0 .24290 .02744 .02606 .02601 .02953 0 .00797 0 |
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S18 .05158 0 .47919 .02700 .02802 .02600 .02709 0 .00904 0 |
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S19 .14986 0 .46080 .02673 .02996 .02623 .02506 0 .01033 0 |
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S20 .26838 0 .47394 .02683 .02964 .02589 .02856 0 .01438 0 |
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S21 .36281 0 .45286 .03213 .02871 .01965 .05161 0 .01793 0 |
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S22 .46661 0 .44262 .03283 .03523 .03165 .03123 0 .01018 0 |
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S23 .10346 0 .09562 .03138 .03551 .02531 .03297 0 .01055 0 |
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S24 .13871 0 .19270 .02656 .02688 .02404 .02803 0 .00784 0 |
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S25 .16670 0 .29547 .03067 .02870 .02890 .03290 0 .00784 0 |
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S26 .18636 0 .39239 .02860 .02668 .03133 .02923 0 .01101 0 |
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S27 .47100 0 .95417 .02799 .02853 .02457 .03150 0 .01053 0 |
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S28 .44556 0 .85669 .02828 .02891 .02503 .03177 0 .01099 0 |
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S29 .40732 0 .76003 .02674 .02768 .02508 .02912 0 .01145 0 |
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S30 .39053 0 .66252 .02477 .02958 .02170 .02377 0 .00963 0 |
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S31 .44003 0 .59079 .02500 .02516 .02205 .02852 0 .00964 0 |
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S32 .22310 0 .59748 .02534 .02695 .02212 .02742 0 .00945 0 |
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S33 .12364 0 .61611 .03074 .02472 .03417 .03490 0 .01179 0 |
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S34 .23842 0 .67783 .02872 .03210 .02711 .03117 0 .01607 0 |
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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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