|
Xanthoconite |
 |
Engel P, Nowacki W |
 |
Acta Crystallographica B24 (1968) 77-81 |
|
Die kristallstruktur von Ag3AsS3 |
|
_database_code_amcsd 0009336 |
|
12.00 6.26 17.08 90 110.00 90 C2/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ag1 .1414 .0347 .2160 .0096 .0319 .0028 -.00125 .00155 -.0010 |
|
Ag2 .0632 .9402 .4386 .0082 .0309 .0035 -.00285 .00145 .0022 |
|
Ag3 .3609 .0457 .1370 .0062 .0208 .0067 .00025 .00135 -.00005 |
|
As .3573 .0553 .4292 .0044 .0123 .0020 -.00045 .00045 -.0002 |
|
S1 .1542 .1943 .0842 .0037 .0128 .0019 -.0015 .0004 -.00005 |
|
S2 .4240 .1427 .3272 .0046 .0153 .0020 .0004 .0008 .00105 |
|
S3 .1655 .1448 .3588 .0028 .0129 .0018 -.00015 .00045 .0003 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Baumhauerite |
|
Engel P, Nowacki W |
 |
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 |
|
_database_code_amcsd 0010683 |
|
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 |
|
As5b .29995 .71492 .84185 .4 .00110 .00649 .00684 .00041 .00128 .00243 |
|
As6 .30542 .01312 .47445 .00053 .00510 .00513 .00006 .00043 .00047 |
|
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 |
|
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 |
|
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 |
|
S4 .12148 .47452 .27470 .00073 .00737 .00878 .00046 .00046 .00075 |
|
S5 .10880 .23524 .91820 .00157 .01278 .00749 -.00205 .00020 .00025 |
|
S6 .10840 .76606 .94260 .00091 .01056 .00646 .00038 -.00020 .00123 |
|
S7 .23442 .26714 .60294 .00058 .00722 .00766 .00018 .00006 -.00049 |
|
S8 .22878 .75214 .62364 .00129 .00908 .00809 -.00087 .00035 .00281 |
|
S9 .24210 .97248 .00874 .00090 .00782 .00900 -.00024 -.00001 -.00060 |
|
S10 .24525 .53125 .00604 .00149 .00814 .00908 -.00065 -.00096 .00147 |
|
S11 .34561 .23122 .34599 .00098 .00704 .00653 .00033 .00074 .00047 |
|
S12 .35025 .80361 .33524 .00092 .00594 .00752 -.00036 .00068 -.00148 |
|
S13 .37067 .00586 .71405 .00078 .00557 .00479 .00083 -.00042 -.00087 |
|
S14 .36052 .49747 .68640 .00109 .00614 .00669 -.00052 -.00004 -.00037 |
|
S15 .44361 .30565 .02747 .00062 .00731 .00457 -.00038 .00036 .00022 |
|
S16 .43934 .72109 .02981 .00079 .00608 .0058 .00002 .00026 -.00051 |
|
S17 .48623 .99017 .35120 .0007 .00567 .00443 -.00016 -.00021 .00042 |
|
S18 .49779 .50618 .38695 .00094 .00458 .00391 .00048 -.00020 -.00034 |
|
S19 .53521 .00532 .89730 .00084 .00604 .00862 .00025 .00084 -.00005 |
|
S20 .54584 .52126 .87405 .00062 .00619 .00735 -.00023 .00061 -.00083 |
|
S21 .58648 .20691 .57477 .00046 .00692 .00488 -.00003 .00002 .00001 |
|
S22 .59387 .78990 .58332 .00074 .00645 .00539 .00026 .00053 .00021 |
|
S23 .66578 .02063 .29441 .00074 .00625 .00586 .00009 .00026 .00051 |
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S24 .65989 .50208 .31701 .00073 .0071 .00407 .00001 .00005 .00027 |
|
S25 .68549 .28847 .96032 .00123 .00495 .00687 -.00075 .00083 -.00096 |
|
S26 .68119 .71020 .95805 .00063 .00551 .00687 .00004 -.00012 .00035 |
|
S27 .78756 .9641 .68141 .00103 .00426 .00701 .00048 .00010 .00006 |
|
S28 .79002 .55828 .65943 .00068 .00541 .00822 .00000 -.00029 -.00042 |
|
S29 .79464 .23463 .32297 .00055 .00676 .00519 -.00001 .00045 -.00052 |
|
S30 .80247 .78171 .29720 .00126 .01018 .0052 -.00127 .00045 -.00255 |
|
S31 .87489 .04028 .03876 .00065 .00546 .00464 -.00049 -.00003 -.00048 |
|
S32 .87454 .46814 .05413 .0009 .00661 .00615 .00039 .00016 .00080 |
|
S33 .92923 .26595 .72923 .00085 .00575 .00651 -.00005 .00011 .00107 |
|
S34 .92304 .76875 .75643 .00071 .00659 .00382 -.00024 .00016 -.00082 |
|
S35 .98090 .24390 .27336 .00069 .00576 .00539 .00055 .00005 -.00030 |
|
S36 .96679 .76363 .23661 .00103 .00735 .00482 -.00001 -.00035 -.00025 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rathite |
|
Engel P, Nowacki W |
|
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 |
|
_database_code_amcsd 0010712 |
|
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 |
|
Pb2 .63182 .99939 .20697 .00681 .00016 .01149 .00000 -.00100 -.00002 |
|
Pb3 .11552 .96622 .71726 .00994 .00023 .01731 .00050 -.00496 -.00062 |
|
Pb4 .62092 .96560 .70593 .00725 .00017 .01080 .00008 .00125 .00007 |
|
Pb5 .14054 .04605 .86370 .00910 .00016 .01604 -.00010 -.00065 .00013 |
|
Pb6 .90667 .06132 .34847 .75 .00714 .00016 .00979 -.00009 .00029 -.00015 |
|
Pb7 .39434 .10004 .00506 .00645 .00010 .00997 -.00007 .00185 -.00011 |
|
Pb8 .36401 .14791 .68004 .00920 .00015 .01504 -.00029 -.00440 .00037 |
|
Pb9 .87004 .14731 .65736 .00631 .00013 .00910 -.00007 .00056 .00000 |
|
Pb10 .37090 .18083 .16632 .00727 .00016 .01618 -.00014 .00387 -.00044 |
|
Pb11 .86535 .18065 .16593 .00622 .00013 .01009 -.00010 -.00100 -.00003 |
|
Pb12 .34883 .22623 .51024 .00658 .00010 .00755 -.00013 -.00072 .00002 |
|
Pb13 .10298 .28494 .35043 .00840 .00018 .01441 .00031 -.00302 -.00027 |
|
Pb14 .61251 .28325 .32799 .00626 .00014 .01479 -.00020 .00190 -.00005 |
|
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 |
|
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 |
|
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 |
|
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 |
|
As17 .83431 .26679 .77879 .01509 .00009 .00666 .00054 .00466 .00017 |
|
As18 .43324 .33839 .27868 .00346 .00012 .00667 .00009 .00157 -.00016 |
|
As19 .87208 .33443 .25038 .00445 .00009 .00810 -.00005 .00016 .00008 |
|
As20 .36487 .37000 .92834 .00498 .00009 .00783 -.00001 .00038 .00005 |
|
As21 .95422 .37709 .93289 .00608 .00018 .00713 .00022 .00051 -.00018 |
|
As22 .66858 .37151 .55690 .00912 .00017 .00995 .00076 .00604 .00052 |
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As23a .43902 .41456 .56570 .5 1.92 |
|
As23b .41118 .41702 .54034 .5 2.15 |
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As24 .12134 .41578 .18893 .00532 .00011 .01038 -.00003 -.00127 .00017 |
|
As25 .18338 .44799 .86002 .00547 .00012 .00611 .00000 -.00112 -.00015 |
|
As26 .62938 .45197 .87804 .00486 .00011 .00926 -.00007 -.00003 .00011 |
|
S1 .07675 .00648 .79486 2.18 |
|
S2 .66366 .00838 .78727 1.84 |
|
S3 .16655 .03701 .43804 2.13 |
|
S4 .58237 .03707 .45965 2.09 |
|
S5 .39122 .03239 .08183 3.06 |
|
S6 .86436 .03455 .10488 2.47 |
|
S7 .36749 .07327 .72631 2.32 |
|
S8 .87997 .07019 .75052 3.60 |
|
S9 .10287 .07825 .11643 2.71 |
|
S10 .66190 .07539 .12426 2.51 |
|
S11 .40016 .10843 .43098 2.27 |
|
S12 .82672 .11041 .41685 1.42 |
|
S13 .13139 .11324 .76027 2.43 |
|
S14 .62508 .11741 .78892 1.82 |
|
S15 .32041 .14006 .07845 1.79 |
|
S16 .90965 .13927 .07948 2.20 |
|
S17 .12045 .15812 .41293 1.58 |
|
S18 .63861 .15406 .38327 2.04 |
|
S19 .10954 .17309 .88858 1.42 |
|
S20 .62308 .17009 .91248 1.91 |
|
S21 .42571 .18604 .57218 1.49 |
|
S22 .84028 .18853 .58021 1.40 |
|
S23 .12859 .20913 .28572 1.90 |
|
S24 .60966 .21121 .26146 1.85 |
|
S25 .33726 .21825 .91846 2.25 |
|
S26 .91923 .21653 .91651 1.76 |
|
S27 .07042 .25133 .57638 2.09 |
|
S28 .66856 .25038 .60062 1.75 |
|
S29 .39767 .25289 .24217 1.53 |
|
S30 .84502 .25515 .21437 2.18 |
|
S31 .16492 .27840 .94410 2.03 |
|
S32 .58727 .27827 .92995 1.43 |
|
S33 .36172 .29613 .60116 2.01 |
|
S34 .86025 .29366 .62600 1.71 |
|
S35 .38344 .31245 .11850 1.65 |
|
S36 .86429 .30715 .09782 1.74 |
|
S37 .06603 .32658 .42640 2.13 |
|
S38 .65401 .32814 .42704 2.02 |
|
S39 .37236 .34896 .71998 2.00 |
|
S40 .87032 .35463 .74185 2.45 |
|
S41 .14312 .35889 .07451 2.05 |
|
S42 .56943 .35619 .08966 1.72 |
|
S43 .11924 .39411 .77238 2.17 |
|
S44 .62712 .39677 .75208 2.94 |
|
S45 .39813 .39161 .37347 2.16 |
|
S46 .85862 .38853 .38691 2.49 |
|
S47 .14203 .43533 .42148 2.96 |
|
S48 .61096 .43272 .39589 1.90 |
|
S49 .32912 .42974 .04343 1.63 |
|
S50 .90992 .42952 .06502 1.81 |
|
S51 .40320 .45901 .71096 1.70 |
|
S52 .81918 .46103 .70431 2.13 |
|
S53 .13864 .47362 .01178 1.95 |
|
S54 .61963 .47769 .04419 2.08 |
|
S55 .60541 .49310 .51452 1.90 |
|
S56 .12065 .48965 .54350 2.00 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Parapierrotite |
|
Engel P |
|
Zeitschrift fur Kristallographie 151 (1980) 203-216 |
|
Die kristallstruktur von synthetischem parapierrotit, TlSb5S8 |
|
Locality: synthetic |
|
_database_code_amcsd 0010823 |
|
8.098 19.415 9.059 90 91.96 90 Pn |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Tl1 0 .44263 0 2.59 .0106 .00150 .0083 -.0001 .00085 -.00075 |
|
Tl2 -.1945 .05391 .7356 2.27 .0115 .00122 .0059 -.0008 -.0016 -.0005 |
|
Sb1 .0887 .2272 .2904 1.32 .0035 .00147 .0029 -.00055 -.0005 .00005 |
|
Sb2 .4281 .3514 .2616 1.13 .0044 .00064 .0038 -.00005 -.0001 .00005 |
|
Sb3 .0232 .4541 .4477 1.77 .0077 .00120 .0044 .00025 -.0006 .00065 |
|
Sb4 -.2579 .2876 .5429 1.01 .0039 .00069 .0029 -.0001 -.0006 -.0001 |
|
Sb5 .1306 .2139 .7328 1.29 .0034 .00100 .0045 .0002 .0003 .00015 |
|
Sb6 -.1960 .2621 .9846 1.22 .0050 .00085 .0033 -.0002 -.0001 -.00025 |
|
Sb7 -.5830 .3721 .7866 1.13 .0038 .00076 .0037 .0000 .00005 -.00025 |
|
Sb8 .4939 .1271 .4659 1.13 .0048 .00064 .0036 -.00015 .0004 -.0003 |
|
Sb9 .7950 .0445 .1986 1.26 .0041 .00085 .0043 -.00005 .00005 .0001 |
|
Sb10 .4300 .1493 .0284 1.45 .0039 .00106 .0052 .0001 -.0015 .00005 |
|
S1 .2921 .2778 .4634 .89 .0024 .0008 .0026 -.0003 .0015 -.0001 |
|
S2 .2447 .2917 .0804 .97 .0029 .0012 .0010 -.0002 -.001 -.00085 |
|
S3 .2739 .1097 .2732 .51 .0030 .0002 .0011 .0000 -.0005 .00015 |
|
S4 -.0412 .1657 .5334 .85 .0050 .0005 .0017 -.0007 .000 .0000 |
|
S5 -.1073 .3419 .3291 .84 .0021 .0005 .0035 -.00035 .000 .0006 |
|
S6 .2640 .4607 .2831 1.10 .0038 .0006 .0041 .0006 -.001 -.00025 |
|
S7 -.0427 .3225 .7310 .92 .0057 .0004 .0022 -.00005 -.001 -.00025 |
|
S8 -.3960 .4013 .5866 .75 .0021 .0005 .0032 .00045 .0025 .0001 |
|
S9 -.0094 .1603 .9460 .92 .0062 .0004 .0014 -.00045 .0005 .0000 |
|
S10 -.4062 .2251 .8081 1.23 .0072 .0008 .0015 -.0014 -.0005 -.00065 |
|
S11 -.3545 .1972 .1942 1.03 .0048 .0006 .0028 -.00095 .001 -.00015 |
|
S12 -.4024 .4026 .9942 1.48 .0070 .0007 .0047 .0000 -.0005 .0004 |
|
S13 -.6913 .4942 .7830 1.10 .0038 .0006 .0044 -.0004 -.001 -.00055 |
|
S14 .6299 .0156 .4138 1.12 .0066 .0003 .0032 .0005 -.0025 -.00075 |
|
S15 .3533 .0817 .6872 1.08 .0088 .0004 .0009 -.0008 .000 -.0003 |
|
S16 .5744 .0351 .0105 1.02 .0019 .0008 .0043 -.0004 .000 -.0004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rebulite |
|
Balic-Zunic T, Scavnicar S, Engel P |
|
Zeitschrift fur Kristallographie 160 (1982) 109-125 |
|
The crystal structure of rebulite, Tl5Sb5As8S22 |
|
Locality: Allchar, Macedonia, Yugoslavia |
|
_database_code_amcsd 0010849 |
|
17.441 7.363 32.052 90 105.03 90 P2_1/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Tl1 .30905 .2987 .45738 .00275 .0115 .00081 -.0001 .00032 -.00015 |
|
Tl2 .69251 .1470 .28730 .00287 .0155 .00083 -.0004 .00018 -.00045 |
|
Tl3 .12171 .4011 .06272 .00274 .0143 .00064 .0004 .00025 .0001 |
|
Tl4 .89889 .3259 .18642 .00219 .0074 .00064 -.00015 .0001 .00005 |
|
Tl5 .47617 .3655 .11055 .00271 .0106 .00083 -.0003 .00068 .0000 |
|
Sb1 .6896 .3257 .43188 .00126 .0087 .00050 .00065 .00035 .00045 |
|
Sb2 .3068 .0979 .31611 .00117 .0062 .00038 -.00005 .00018 .0002 |
|
Sb3 .0852 .1893 .42811 .00133 .0095 .00051 .0008 .00012 .0001 |
|
Sb4 .9206 .1884 .32652 .00163 .0071 .00050 -.0001 .00021 -.00035 |
|
Sb5 .8993 .4529 .4251 .45 .0007 .0086 .00074 .00055 .0001 .0002 |
|
As5' .9138 .4467 .4212 .55 .0005 .0081 .00059 .0006 .00005 .0004 |
|
As1 .2960 .0691 .1679 .0011 .0081 .00034 -.0001 .0001 -.0003 |
|
As2 .7020 .3425 .0860 .0012 .0054 .00034 -.00025 .00005 -.00015 |
|
As3 .8799 .1950 .0469 .0012 .0079 .00034 .0002 .0000 -.00015 |
|
As4 .1234 .1976 .2118 .0011 .0075 .00039 .0003 .0002 -.0001 |
|
As5 .5362 .2525 .4893 .0010 .0087 .00033 -.00045 .0001 .00015 |
|
As6 .4727 .1767 .2609 .0008 .0071 .00029 -.0002 .00015 .00005 |
|
As7 .4826 .4159 .3614 .0013 .0070 .00040 -.0003 .0000 -.00005 |
|
As8 .1162 .3688 .3161 .0012 .0049 .00044 .00045 .00015 -.00005 |
|
S1 -.0065 .4698 .1170 .0016 .005 .00058 -.0006 -.00005 .0003 |
|
S2 .1824 -.0182 .0079 .0013 .010 .00057 .00015 .0002 -.0004 |
|
S3 .8165 .240 .3842 .0018 .010 .00062 .0004 .00015 -.0005 |
|
S4 .8314 .473 .0234 .0016 .011 .00055 -.0007 .00005 .00075 |
|
S5 .1949 .285 .1647 .0020 .012 .00045 .00105 .00045 .00065 |
|
S6 .8166 .4430 .2611 .0016 .006 .00063 -.0005 .0002 -.0004 |
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S7 .8047 .134 .0942 .0018 .008 .00053 .0001 .0002 .00035 |
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S8 .1829 .4101 .2634 .0018 .010 .00034 -.00015 .0006 .0002 |
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S9 .1935 .1641 .3596 .0014 .008 .00063 .0004 .0001 .0002 |
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S10 .9937 .248 .4715 .0012 .011 .00055 .00005 .00025 -.0003 |
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S11 .9832 .4522 .3666 .0018 .006 .00044 -.0003 .0001 -.00005 |
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S12 .4131 -.0090 .0424 .0013 .008 .00038 -.00015 .00035 -.0004 |
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S13 .5884 .2443 .3559 .0013 .008 .00041 .0000 .00025 -.0002 |
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S14 .3863 .535 .0213 .0036 .007 .00068 -.0017 .00045 -.00035 |
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S15 .4056 .257 .1922 .0014 .011 .00055 -.00215 -.0001 .0006 |
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S16 .5910 .4379 .2219 .0017 .005 .00058 -.0002 .00015 .00005 |
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S17 .5932 .1617 .0608 .0012 .008 .00059 -.0008 .0001 -.00005 |
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S18 .4134 .4084 .2891 .0017 .008 .00050 .00035 .00015 .00045 |
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S19 .4083 .199 .3854 .0010 .011 .00049 -.00045 .0000 -.0005 |
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S20 .0154 .1931 .2784 .0015 .008 .00042 -.00005 .00015 -.0001 |
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S21 .2931 .1401 .0974 .0015 .007 .00050 .0003 .0002 .00025 |
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S22 .6935 .2836 .1550 .0018 .007 .00056 -.0006 .0003 .00005 |
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Simonite |
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Engel P, Nowacki W, Balic-Zunic T, Scavnicar S |
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Zeitschrift fur Kristallographie 161 (1982) 159-166 |
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The crystal structure of simonite, TlHgAs3S6 |
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_database_code_amcsd 0010851 |
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5.948 11.404 15.979 90 90.15 90 P2_1/n |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Tl .3855 .38393 .31816 .0196 .00493 .00321 -.00120 .00125 .000295 |
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Hg .9365 .39814 .09751 .0191 .00510 .00131 .00085 -.00040 -.000395 |
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As1 .0192 .1308 .4320 .0100 .0027 .00123 -.00030 -.00055 -.00010 |
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As2 .3989 .1584 .0825 .0084 .0032 .00130 -.00065 .0001 .00025 |
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As3 .7025 .1301 .2515 .0096 .0030 .00116 .00100 .00005 .00005 |
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S1 .3778 .3419 .1202 .0111 .0040 .0018 .00145 -.00035 -.00030 |
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S2 .7801 .1313 .1131 .0124 .0035 .0015 .00095 .00015 .00030 |
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S3 .3931 .1419 .4502 .0108 .0041 .0013 .00025 -.00040 .00020 |
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S4 .9279 .3272 .4420 .0132 .0034 .0015 .00090 -.00030 .00020 |
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S5 .0716 .1394 .2882 .0108 .0035 .0013 -.00080 -.00030 -.00025 |
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S6 .8772 .4393 .2430 .0112 .0029 .0014 .00115 .00020 .00000 |
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Pierrotite |
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Engel P, Gostojic M, Nowacki W |
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Zeitschrift fur Kristallographie 165 (1983) 209-215 |
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The crystal structure of pierrotite, Tl2(Sb,As)10S16 |
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Locality: Jas-Roux, Hutes-Alps, France |
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_database_code_amcsd 0010859 |
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38.7460 8.816 7.989 90 90 90 Pna2_1 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Tl1 .03205 .4965 .0544 .00047 .0080 .0171 .0002 .0008 .0040 |
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Tl2 .21783 .2442 .1351 .00041 .0072 .0157 -.0005 .0005 .0005 |
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Sb1 .43813 .2642 .1299 .00030 .0046 .0117 .0000 .0002 .0011 |
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Sb2 .48782 .4470 .5363 .00020 .0040 .0094 .0001 .0000 -.0004 |
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Sb3 .17719 .5153 .5664 .00027 .0063 .0124 .0001 .0003 -.0006 |
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Sb4 .27190 .1972 .6636 .00042 .0048 .0134 -.0008 .0000 .0000 |
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Sb5 .35962 .3000 .3605 .00033 .0076 .0117 .0006 -.0007 -.0061 |
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Sb6 .06980 .2956 .5530 .00029 .0071 .0098 -.0006 .0000 -.0012 |
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As1 .1903 .0280 .5442 .00027 .0013 .0066 .0001 .0005 .0024 |
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As2 .1280 .2360 .9002 .00015 .0027 .0077 -.0002 -.0005 .0007 |
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As3 .1101 .9866 .2248 .00013 .0026 .0071 .0004 .0001 .0017 |
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As4 .1232 .5360 .2263 .00032 .0023 .0073 -.0007 .0006 -.0003 |
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S1 .3573 .2118 .9145 .00034 .0017 .0122 -.0002 .0003 -.0018 |
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S2 .1484 .3350 .3771 .00025 .0021 .0083 -.0001 -.0004 .0013 |
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S3 .3322 .0638 .5300 .00014 .0052 .0072 .0007 .0003 .0011 |
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S4 .4155 .3010 .5787 .00014 .0030 .0073 .0005 -.0004 -.0041 |
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S5 .0185 .2362 .7257 .00018 .0045 .0092 .0001 .0008 -.0015 |
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S6 .2493 .0258 .4440 .00017 .0055 .0064 -.0002 .0000 .0000 |
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S7 .4935 .2717 .2850 .00011 .0048 .0057 .0000 .0001 -.0001 |
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S8 .2312 .5266 .4057 .00020 .0056 .0077 .0000 .0009 .0017 |
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S9 .3391 .4749 .5764 .00014 .0038 .0089 -.0003 .0009 -.0040 |
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S10 .4537 .0539 .9508 .00025 .0022 .0072 -.0002 .0004 .0003 |
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S11 .0849 .1939 .0949 .00021 .0027 .0127 .0002 .0006 -.0008 |
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S12 .0982 .4374 .7767 .00018 .0025 .0090 -.0006 -.0005 .0000 |
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S13 .2985 .3261 .2293 .00014 .0033 .0105 -.0007 -.0005 .0006 |
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S14 .4553 .4538 .9267 .00017 .0026 .0088 -.0002 -.0003 .0002 |
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S15 .1154 .0656 .7035 .00035 .0013 .0072 .0006 -.0012 .0009 |
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S16 .2040 .2332 .7191 .00016 .0038 .0090 -.0004 -.0006 .0011 |
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Edenharterite |
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Balic-Zunic T, Engel P |
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Zeitschrift fur Kristallographie 165 (1983) 261-269 |
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Crystal structure of synthetic PbTlAs3S6 |
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Locality: synthetic |
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_database_code_amcsd 0010861 |
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47.453 15.476 5.847 90 90 90 Fdd2 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb .12226 .02562 0 .00019 .00149 .0086 .00001 .00002 -.0002 |
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Tl .03043 .2955 .1861 .00033 .00263 .0153 -.00011 .0002 -.0009 |
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As1 .03380 .0117 .1151 .00016 .0013 .010 -.00002 -.0001 -.0002 |
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As2 .07577 .0967 .5565 .00015 .0010 .009 .00006 -.0002 .0001 |
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As3 .08313 .3028 .7667 .00019 .0011 .009 .00003 .0002 -.0007 |
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S1 .0807 .1424 .195 .00022 .0019 .009 -.0001 .0000 -.0005 |
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S2 .0813 .3843 .452 .00019 .0016 .010 .0000 -.0001 .001 |
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S3 .0045 .3938 .612 .00017 .0011 .017 -.0001 .0000 -.001 |
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S4 .0468 .2067 .674 .00016 .0013 .012 .0001 .0002 .000 |
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S5 .1214 .2201 .702 .00019 .0013 .010 -.0001 -.0001 -.0005 |
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S6 .0402 .4968 .996 .00030 .0017 .013 -.0002 -.0005 .001 |
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|
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Pyrargyrite |
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Engel P, Nowacki W |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1966 (1966) 181-184 |
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Die verfeinerung der kristallstruktur von proustit, Ag3AsS3 und pyrargyrit, Ag3SbS3 |
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_database_code_amcsd 0014730 |
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11.04 11.04 8.72 90 90 120 R3c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ag .2468 .3034 .2158 .0167 .0089 .0154 .0065 .00085 .0067 |
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Sb 0 0 0 .0026 .0026 .0050 .0013 0 0 |
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S .2214 .1014 .3560 .0025 .0032 .0042 .0011 .0002 .00005 |
|
|
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| |
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