American Mineralogist Crystal Structure Database

9 matching records for this search.

Xanthoconite
Download hom/xanthoconite.pdf
Engel P, Nowacki W
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=24&spage=77
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
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 (permalink)
 
Baumhauerite
Download hom/baumhauerite.pdf
Engel P, Nowacki W
Download zk/vol129/ZK129_178.pdf
Zeitschrift fur Kristallographie 129 (1969) 178-202
Die kristallstruktur von baumhauerit
Locality: Lengenbach quarry, Binnatal, Canton Wallis, Switzerland
_database_code_amcsd 0010683
22.800 8.357 7.894 90.05 97.27 89.92 P1
atom      x      y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Pb1  .99722 .01234 .00207     .00113 .00761 .00894  .00002  .00063  .00112
Pb2  .98837 .51371 .99218     .00114 .00924 .01440 -.00083  .00160 -.00410
Pb3  .14993 .49630 .70959     .00090 .00818 .01088  .00007  .00020  .00162
Pb4  .19567 .72499 .21280 .62 .00130 .00859 .00798  .00013  .00006 -.00033
Pb5  .31987 .24012 .91001     .00089 .00793 .00759  .00008  .00023 -.00110
Pb6  .46758 .26389 .63551     .00133 .00968 .01408  .00061  .00122  .00437
Pb7  .46689 .75931 .61771     .00108 .00775 .00779  .00019  .00042 -.00049
Pb8  .57264 .25874 .16392     .00131 .00830 .01355  .00048 -.00066 -.00328
Pb9  .57147 .76397 .16169     .00119 .00745 .00869  .00028  .00039  .00129
Pb10 .71343 .28134 .55976     .00082 .00797 .00805  .00026  .00029  .00082
Pb11 .89142 .01788 .44725     .00124 .00773 .01333  .00048  .00047 -.00116
Pb12 .89673 .52598 .47379     .00153 .00937 .01220 -.00078 -.00001  .00218
As1   .0613 .20034 .45754     .00058 .00586 .00430 -.00010  .00010 -.00041
As2  .04867 .75394 .42989     .00057 .00452 .00684  .00002  .00054  .00040
As3  .16496 .25819 .16911     .00078 .00654 .00964 -.00028  .00104 -.00120
As3' .17436 .69306 .16244  .4 .00096 .00806 .00696 -.00052  .00003  .00036
As4a .15871 .96457 .82314  .4 .00126 .00962 .00179 -.00137 -.00067  .00263
As4b .15613 .98658 .76606  .9 .00099 .00896 .01109 -.00067  .00033 -.00172
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
As8  .40611 .94175 .16754     .00058 .00490 .00464  .00015  .00006  .00057
As9  .41722 .50234 .19231     .00045 .00470 .00541 -.00016  .00010 -.00067
As10 .61603 .01319 .75859     .00049 .00510 .00559 -.00014 -.00005 -.00016
As11 .62678 .56462 .75108     .00047 .00636 .00506 -.00035  .00034 -.00130
As12 .74321 .76258 .50637     .00061 .00569 .00529 -.00047 -.00014 -.00040
As13 .74033 .06375 .14174     .00088 .01093 .00772 -.00145  .00099 -.00447
As14 .72534 .49807 .12387     .00053 .00564 .00590  .00001 -.00002  .00058
As15 .84991 .27018 .87513     .00054 .00478 .00649 -.00022 -.00018  .00009
As16 .83885 .79852 .87979     .00074 .01070 .00506  .00082  .00042  .00230
S1   .02865 .97509 .59175     .00059 .00611 .00621 -.00007 -.00008  .00022
S2   .02245 .56137 .59133     .00061 .00703 .00589  .00009 -.00017  .00076
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
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Rathite
Download hom/rathite.pdf
Engel P, Nowacki W
Download zk/vol131/ZK131_356.pdf
Zeitschrift fur Kristallographie 131 (1970) 356-375
Die kristallstruktur von rathit-II [As25 S56|PbVII6.5 PBIX12]
Locality: Lengenbach, Binnatal, Switzerland
_database_code_amcsd 0010712
8.371 70.49 7.914 90 90.133 90 P2_1
atom       x      y      z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
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
Pb16  .61231 .31639 .84751          .00587 .00014 .00931 -.00003 -.00025  .00012
Pb17  .14801 .36505 .50129          .00580 .00011 .00886  .00010 -.00098 -.00003
Pb18  .65297 .40321 .15803 .75      .00547 .00010 .00710  .00014  .00036  .00007
Pb19  .89127 .41937 .63697          .00881 .00014 .01336  .00013  .00071  .00005
As1   .43689 .01897 .64064          .00619 .00016 .00667 -.00006  .00090 -.00023
As2   .88474 .01523 .62114          .00432 .00013 .01034  .00002  .00024 -.00001
As3   .37518 .05150 .30960          .00845 .00010 .01281  .00024  .00232  .00036
As4   .94311 .05391 .30961 .25 3.01
As5   .67066 .05002 .93942          .01327 .00012 .02047  .00095  .00476  .00029
As6a  .89249 .09168 .97540  .5 3.24
As6b  .92119 .09603 .94204  .5 2.33
As7   .20349 .09101 .57092          .00496 .00021 .00562 -.00020 -.00082 -.00017
As8   .61732 .09647 .57672          .00349 .00012 .00848 -.00002 -.00004  .00009
As9   .12863 .13208 .25499          .00433 .00009 .00723  .00004 -.00026  .00005
As10  .68850 .12836 .22977          .00437 .00011 .00733 -.00008  .00002 -.00007
Asl1  .06493 .19920 .73235          .00570 .00008 .00748  .00003  .00035  .00008
As12  .61748 .19563 .74424          .00415 .00007 .00928 -.00006  .00033  .00002
As13  .13223 .23082 .07062          .00523 .00006 .00697 -.00006  .00070 -.00006
As14  .56491 .23550 .08231          .01244 .00012 .01095  .00050  .00432  .00043
As15  .86587 .23633 .44308          .00505 .00009 .00882  .00017  .00017  .00015
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
As23a .43902 .41456 .56570  .5 1.92
As23b .41118 .41702 .54034  .5 2.15
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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View JMOL 3-D Structure (permalink)
 
Parapierrotite
Download hom/parapierrotite.pdf
Engel P
Download zk/vol151/ZK151_203.pdf
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)
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View JMOL 3-D Structure (permalink)
 
Rebulite
Download hom/rebulite.pdf
Balic-Zunic T, Scavnicar S, Engel P
Download zk/vol160/ZK160_109.pdf
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
S7    .8047   .134  .0942      .0018   .008 .00053   .0001   .0002  .00035
S8    .1829  .4101  .2634      .0018   .010 .00034 -.00015   .0006   .0002
S9    .1935  .1641  .3596      .0014   .008 .00063   .0004   .0001   .0002
S10   .9937   .248  .4715      .0012   .011 .00055  .00005  .00025  -.0003
S11   .9832  .4522  .3666      .0018   .006 .00044  -.0003   .0001 -.00005
S12   .4131 -.0090  .0424      .0013   .008 .00038 -.00015  .00035  -.0004
S13   .5884  .2443  .3559      .0013   .008 .00041   .0000  .00025  -.0002
S14   .3863   .535  .0213      .0036   .007 .00068  -.0017  .00045 -.00035
S15   .4056   .257  .1922      .0014   .011 .00055 -.00215  -.0001   .0006
S16   .5910  .4379  .2219      .0017   .005 .00058  -.0002  .00015  .00005
S17   .5932  .1617  .0608      .0012   .008 .00059  -.0008   .0001 -.00005
S18   .4134  .4084  .2891      .0017   .008 .00050  .00035  .00015  .00045
S19   .4083   .199  .3854      .0010   .011 .00049 -.00045   .0000  -.0005
S20   .0154  .1931  .2784      .0015   .008 .00042 -.00005  .00015  -.0001
S21   .2931  .1401  .0974      .0015   .007 .00050   .0003   .0002  .00025
S22   .6935  .2836  .1550      .0018   .007 .00056  -.0006   .0003  .00005
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Simonite
Download hom/simonite.pdf
Engel P, Nowacki W, Balic-Zunic T, Scavnicar S
Download zk/vol161/ZK161_159.pdf
Zeitschrift fur Kristallographie 161 (1982) 159-166
The crystal structure of simonite, TlHgAs3S6
_database_code_amcsd 0010851
5.948 11.404 15.979 90 90.15 90 P2_1/n
atom     x      y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)   B(2,3)
Tl   .3855 .38393 .31816  .0196 .00493 .00321 -.00120  .00125  .000295
Hg   .9365 .39814 .09751  .0191 .00510 .00131  .00085 -.00040 -.000395
As1  .0192  .1308  .4320  .0100  .0027 .00123 -.00030 -.00055  -.00010
As2  .3989  .1584  .0825  .0084  .0032 .00130 -.00065   .0001   .00025
As3  .7025  .1301  .2515  .0096  .0030 .00116  .00100  .00005   .00005
S1   .3778  .3419  .1202  .0111  .0040  .0018  .00145 -.00035  -.00030
S2   .7801  .1313  .1131  .0124  .0035  .0015  .00095  .00015   .00030
S3   .3931  .1419  .4502  .0108  .0041  .0013  .00025 -.00040   .00020
S4   .9279  .3272  .4420  .0132  .0034  .0015  .00090 -.00030   .00020
S5   .0716  .1394  .2882  .0108  .0035  .0013 -.00080 -.00030  -.00025
S6   .8772  .4393  .2430  .0112  .0029  .0014  .00115  .00020   .00000
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Pierrotite
Download hom/pierrotite.pdf
Engel P, Gostojic M, Nowacki W
Download zk/vol165/ZK165_209.pdf
Zeitschrift fur Kristallographie 165 (1983) 209-215
The crystal structure of pierrotite, Tl2(Sb,As)10S16
Locality: Jas-Roux, Hutes-Alps, France
_database_code_amcsd 0010859
38.7460 8.816 7.989 90 90 90 Pna2_1
atom      x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Tl1  .03205 .4965 .0544 .00047  .0080  .0171  .0002  .0008  .0040
Tl2  .21783 .2442 .1351 .00041  .0072  .0157 -.0005  .0005  .0005
Sb1  .43813 .2642 .1299 .00030  .0046  .0117  .0000  .0002  .0011
Sb2  .48782 .4470 .5363 .00020  .0040  .0094  .0001  .0000 -.0004
Sb3  .17719 .5153 .5664 .00027  .0063  .0124  .0001  .0003 -.0006
Sb4  .27190 .1972 .6636 .00042  .0048  .0134 -.0008  .0000  .0000
Sb5  .35962 .3000 .3605 .00033  .0076  .0117  .0006 -.0007 -.0061
Sb6  .06980 .2956 .5530 .00029  .0071  .0098 -.0006  .0000 -.0012
As1   .1903 .0280 .5442 .00027  .0013  .0066  .0001  .0005  .0024
As2   .1280 .2360 .9002 .00015  .0027  .0077 -.0002 -.0005  .0007
As3   .1101 .9866 .2248 .00013  .0026  .0071  .0004  .0001  .0017
As4   .1232 .5360 .2263 .00032  .0023  .0073 -.0007  .0006 -.0003
S1    .3573 .2118 .9145 .00034  .0017  .0122 -.0002  .0003 -.0018
S2    .1484 .3350 .3771 .00025  .0021  .0083 -.0001 -.0004  .0013
S3    .3322 .0638 .5300 .00014  .0052  .0072  .0007  .0003  .0011
S4    .4155 .3010 .5787 .00014  .0030  .0073  .0005 -.0004 -.0041
S5    .0185 .2362 .7257 .00018  .0045  .0092  .0001  .0008 -.0015
S6    .2493 .0258 .4440 .00017  .0055  .0064 -.0002  .0000  .0000
S7    .4935 .2717 .2850 .00011  .0048  .0057  .0000  .0001 -.0001
S8    .2312 .5266 .4057 .00020  .0056  .0077  .0000  .0009  .0017
S9    .3391 .4749 .5764 .00014  .0038  .0089 -.0003  .0009 -.0040
S10   .4537 .0539 .9508 .00025  .0022  .0072 -.0002  .0004  .0003
S11   .0849 .1939 .0949 .00021  .0027  .0127  .0002  .0006 -.0008
S12   .0982 .4374 .7767 .00018  .0025  .0090 -.0006 -.0005  .0000
S13   .2985 .3261 .2293 .00014  .0033  .0105 -.0007 -.0005  .0006
S14   .4553 .4538 .9267 .00017  .0026  .0088 -.0002 -.0003  .0002
S15   .1154 .0656 .7035 .00035  .0013  .0072  .0006 -.0012  .0009
S16   .2040 .2332 .7191 .00016  .0038  .0090 -.0004 -.0006  .0011
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Edenharterite
Download hom/edenharterite.pdf
Balic-Zunic T, Engel P
Download zk/vol165/ZK165_261.pdf
Zeitschrift fur Kristallographie 165 (1983) 261-269
Crystal structure of synthetic PbTlAs3S6
Locality: synthetic
_database_code_amcsd 0010861
47.453 15.476 5.847 90 90 90 Fdd2
atom      x      y     z B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Pb   .12226 .02562     0 .00019 .00149  .0086  .00001 .00002 -.0002
Tl   .03043  .2955 .1861 .00033 .00263  .0153 -.00011  .0002 -.0009
As1  .03380  .0117 .1151 .00016  .0013   .010 -.00002 -.0001 -.0002
As2  .07577  .0967 .5565 .00015  .0010   .009  .00006 -.0002  .0001
As3  .08313  .3028 .7667 .00019  .0011   .009  .00003  .0002 -.0007
S1    .0807  .1424  .195 .00022  .0019   .009  -.0001  .0000 -.0005
S2    .0813  .3843  .452 .00019  .0016   .010   .0000 -.0001   .001
S3    .0045  .3938  .612 .00017  .0011   .017  -.0001  .0000  -.001
S4    .0468  .2067  .674 .00016  .0013   .012   .0001  .0002   .000
S5    .1214  .2201  .702 .00019  .0013   .010  -.0001 -.0001 -.0005
S6    .0402  .4968  .996 .00030  .0017   .013  -.0002 -.0005   .001
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Pyrargyrite
Download hom/pyrargyrite.pdf
Engel P, Nowacki W
 
Neues Jahrbuch fur Mineralogie, Monatshefte 1966 (1966) 181-184
Die verfeinerung der kristallstruktur von proustit, Ag3AsS3 und pyrargyrit, Ag3SbS3
_database_code_amcsd 0014730
11.04 11.04 8.72 90 90 120 R3c
atom     x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ag   .2468 .3034 .2158  .0167  .0089  .0154  .0065 .00085  .0067
Sb       0     0     0  .0026  .0026  .0050  .0013      0      0
S    .2214 .1014 .3560  .0025  .0032  .0042  .0011  .0002 .00005
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Total number of retrieved datasets: 9
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