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Rathite |
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Engel P, Nowacki W |
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Zeitschrift fur Kristallographie 131 (1970) 356-375 |
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Die kristallstruktur von rathit-II [As25 S56|PbVII6.5 PBIX12] |
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Locality: Lengenbach, Binnatal, Switzerland |
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_database_code_amcsd 0010712 |
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8.371 70.49 7.914 90 90.133 90 P2_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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Pb1 .13554 .99870 .21267 .00998 .00021 .01770 .00047 .00574 .00050 |
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Pb2 .63182 .99939 .20697 .00681 .00016 .01149 .00000 -.00100 -.00002 |
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Pb3 .11552 .96622 .71726 .00994 .00023 .01731 .00050 -.00496 -.00062 |
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Pb4 .62092 .96560 .70593 .00725 .00017 .01080 .00008 .00125 .00007 |
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Pb5 .14054 .04605 .86370 .00910 .00016 .01604 -.00010 -.00065 .00013 |
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Pb6 .90667 .06132 .34847 .75 .00714 .00016 .00979 -.00009 .00029 -.00015 |
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Pb7 .39434 .10004 .00506 .00645 .00010 .00997 -.00007 .00185 -.00011 |
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Pb8 .36401 .14791 .68004 .00920 .00015 .01504 -.00029 -.00440 .00037 |
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Pb9 .87004 .14731 .65736 .00631 .00013 .00910 -.00007 .00056 .00000 |
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Pb10 .37090 .18083 .16632 .00727 .00016 .01618 -.00014 .00387 -.00044 |
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Pb11 .86535 .18065 .16593 .00622 .00013 .01009 -.00010 -.00100 -.00003 |
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Pb12 .34883 .22623 .51024 .00658 .00010 .00755 -.00013 -.00072 .00002 |
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Pb13 .10298 .28494 .35043 .00840 .00018 .01441 .00031 -.00302 -.00027 |
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Pb14 .61251 .28325 .32799 .00626 .00014 .01479 -.00020 .00190 -.00005 |
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Pb15 .11268 .31385 .83312 .00733 .00011 .01303 .00015 .00310 .00023 |
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Pb16 .61231 .31639 .84751 .00587 .00014 .00931 -.00003 -.00025 .00012 |
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Pb17 .14801 .36505 .50129 .00580 .00011 .00886 .00010 -.00098 -.00003 |
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Pb18 .65297 .40321 .15803 .75 .00547 .00010 .00710 .00014 .00036 .00007 |
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Pb19 .89127 .41937 .63697 .00881 .00014 .01336 .00013 .00071 .00005 |
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As1 .43689 .01897 .64064 .00619 .00016 .00667 -.00006 .00090 -.00023 |
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As2 .88474 .01523 .62114 .00432 .00013 .01034 .00002 .00024 -.00001 |
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As3 .37518 .05150 .30960 .00845 .00010 .01281 .00024 .00232 .00036 |
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As4 .94311 .05391 .30961 .25 3.01 |
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As5 .67066 .05002 .93942 .01327 .00012 .02047 .00095 .00476 .00029 |
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As6a .89249 .09168 .97540 .5 3.24 |
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As6b .92119 .09603 .94204 .5 2.33 |
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As7 .20349 .09101 .57092 .00496 .00021 .00562 -.00020 -.00082 -.00017 |
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As8 .61732 .09647 .57672 .00349 .00012 .00848 -.00002 -.00004 .00009 |
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As9 .12863 .13208 .25499 .00433 .00009 .00723 .00004 -.00026 .00005 |
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As10 .68850 .12836 .22977 .00437 .00011 .00733 -.00008 .00002 -.00007 |
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Asl1 .06493 .19920 .73235 .00570 .00008 .00748 .00003 .00035 .00008 |
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As12 .61748 .19563 .74424 .00415 .00007 .00928 -.00006 .00033 .00002 |
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As13 .13223 .23082 .07062 .00523 .00006 .00697 -.00006 .00070 -.00006 |
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As14 .56491 .23550 .08231 .01244 .00012 .01095 .00050 .00432 .00043 |
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As15 .86587 .23633 .44308 .00505 .00009 .00882 .00017 .00017 .00015 |
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As16 .36026 .27047 .77240 .00472 .00005 .01058 .00000 .00022 -.00025 |
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As17 .83431 .26679 .77879 .01509 .00009 .00666 .00054 .00466 .00017 |
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As18 .43324 .33839 .27868 .00346 .00012 .00667 .00009 .00157 -.00016 |
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As19 .87208 .33443 .25038 .00445 .00009 .00810 -.00005 .00016 .00008 |
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As20 .36487 .37000 .92834 .00498 .00009 .00783 -.00001 .00038 .00005 |
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As21 .95422 .37709 .93289 .00608 .00018 .00713 .00022 .00051 -.00018 |
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As22 .66858 .37151 .55690 .00912 .00017 .00995 .00076 .00604 .00052 |
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As23a .43902 .41456 .56570 .5 1.92 |
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As23b .41118 .41702 .54034 .5 2.15 |
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As24 .12134 .41578 .18893 .00532 .00011 .01038 -.00003 -.00127 .00017 |
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As25 .18338 .44799 .86002 .00547 .00012 .00611 .00000 -.00112 -.00015 |
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As26 .62938 .45197 .87804 .00486 .00011 .00926 -.00007 -.00003 .00011 |
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S1 .07675 .00648 .79486 2.18 |
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S2 .66366 .00838 .78727 1.84 |
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S3 .16655 .03701 .43804 2.13 |
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S4 .58237 .03707 .45965 2.09 |
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S5 .39122 .03239 .08183 3.06 |
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S6 .86436 .03455 .10488 2.47 |
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S7 .36749 .07327 .72631 2.32 |
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S8 .87997 .07019 .75052 3.60 |
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S9 .10287 .07825 .11643 2.71 |
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S10 .66190 .07539 .12426 2.51 |
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S11 .40016 .10843 .43098 2.27 |
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S12 .82672 .11041 .41685 1.42 |
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S13 .13139 .11324 .76027 2.43 |
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S14 .62508 .11741 .78892 1.82 |
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S15 .32041 .14006 .07845 1.79 |
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S16 .90965 .13927 .07948 2.20 |
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S17 .12045 .15812 .41293 1.58 |
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S18 .63861 .15406 .38327 2.04 |
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S19 .10954 .17309 .88858 1.42 |
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S20 .62308 .17009 .91248 1.91 |
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S21 .42571 .18604 .57218 1.49 |
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S22 .84028 .18853 .58021 1.40 |
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S23 .12859 .20913 .28572 1.90 |
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S24 .60966 .21121 .26146 1.85 |
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S25 .33726 .21825 .91846 2.25 |
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S26 .91923 .21653 .91651 1.76 |
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S27 .07042 .25133 .57638 2.09 |
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S28 .66856 .25038 .60062 1.75 |
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S29 .39767 .25289 .24217 1.53 |
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S30 .84502 .25515 .21437 2.18 |
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S31 .16492 .27840 .94410 2.03 |
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S32 .58727 .27827 .92995 1.43 |
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S33 .36172 .29613 .60116 2.01 |
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S34 .86025 .29366 .62600 1.71 |
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S35 .38344 .31245 .11850 1.65 |
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S36 .86429 .30715 .09782 1.74 |
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S37 .06603 .32658 .42640 2.13 |
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S38 .65401 .32814 .42704 2.02 |
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S39 .37236 .34896 .71998 2.00 |
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S40 .87032 .35463 .74185 2.45 |
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S41 .14312 .35889 .07451 2.05 |
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S42 .56943 .35619 .08966 1.72 |
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S43 .11924 .39411 .77238 2.17 |
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S44 .62712 .39677 .75208 2.94 |
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S45 .39813 .39161 .37347 2.16 |
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S46 .85862 .38853 .38691 2.49 |
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S47 .14203 .43533 .42148 2.96 |
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S48 .61096 .43272 .39589 1.90 |
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S49 .32912 .42974 .04343 1.63 |
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S50 .90992 .42952 .06502 1.81 |
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S51 .40320 .45901 .71096 1.70 |
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S52 .81918 .46103 .70431 2.13 |
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S53 .13864 .47362 .01178 1.95 |
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S54 .61963 .47769 .04419 2.08 |
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S55 .60541 .49310 .51452 1.90 |
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S56 .12065 .48965 .54350 2.00 |
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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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