|
Alloclasite |
 |
Scott J D, Nowacki W |
 |
The Canadian Mineralogist 14 (1976) 561-566 |
|
The crystal structure of alloclasite, CoAsS, and the |
|
alloclasite-cobaltite transformation |
|
_database_code_amcsd 0005134 |
|
4.661 5.602 3.411 90 90.2 90 P2_1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Co .24824 0 .24480 .0113 .0084 .0222 0 0 -.0002 |
|
As .04766 .37149 .25547 .0154 .0112 .0259 -.0004 -.0005 -.0002 |
|
S .44104 .62236 .24239 .0159 .0117 .0320 .0006 -.0009 .0004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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 |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stephanite |
|
Ribar B, Nowacki W |
|
Acta Crystallographica B26 (1970) 201-207 |
|
Die kristallstruktur von stephanit, [SbS3|S|Ag5] |
|
_database_code_amcsd 0009367 |
|
7.873 12.467 8.583 90 90 90 Cmc2_1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sb 0 .33072 .09900 .00802 .00249 .00379 0 0 -.00040 |
|
Ag1 .5 .35543 .16922 .01409 .00640 .01382 0 0 .00262 |
|
Ag2 .18902 .06219 .32683 .01874 .00883 .01157 -.00438 .00320 .03950 |
|
Ag3 .31406 .12312 .01357 .01654 .00673 .00601 .00327 .00033 .00192 |
|
S1 0 .03031 .02449 .00781 .00245 .00444 0 0 -.00080 |
|
S2 .5 .01522 .20585 .00861 .00194 .00463 0 0 -.00040 |
|
S3 .23005 .26679 .27307 .00781 .00209 .00667 -.00009 -.00049 -.00085 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Eu S |
| |
Nowacki W |
| |
Zeitschrift fur Kristallographie 99 (1938) 339-341 |
|
Die Kristallstruktur des Eu S |
|
_cod_database_code 1010444 |
|
_database_code_amcsd 0017365 |
|
5.957 5.957 5.957 90 90 90 Fm3m |
|
atom x y z |
|
Eu1 0 0 0 |
|
S1 0 0 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
F3 Y |
| |
Nowacki W |
| |
Zeitschrift fur Kristallographie 100 (1938) 242-250 |
|
Die Kristallstruktur des kubischen Yttriumfluorids Y F3 |
|
_cod_database_code 1011296 |
|
_database_code_amcsd 0018143 |
|
5.644 5.644 5.644 90 90 90 Pm3m |
|
atom x y z |
|
Y1 .5 .5 0 |
|
F1 .5 .5 .5 |
|
F2 .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
F3 Sc |
| |
Nowacki W |
| |
Zeitschrift fur Kristallographie 101 (1939) 273-282 |
|
Die Kristallstruktur des Sc F3 |
|
_cod_database_code 1010451 |
|
_database_code_amcsd 0017371 |
|
4.022 4.022 4.022 89.575 89.575 89.575 R32 |
|
atom x y z |
|
Sc1 0 0 0 |
|
F1 .5 .275 -.275 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hutchinsonite |
|
Takeuchi Y, Ghose S, Nowacki W |
|
Zeitschrift fur Kristallographie 121 (1965) 321-348 |
|
The crystal structure of hutchinsonite, (Tl,Pb)2As5S9 |
|
Locality: Lengenbach, Binnatal, Valais, Switzerland |
|
_database_code_amcsd 0010621 |
|
10.81 35.36 8.16 90 90 90 Pbca |
|
atom x y z occ Biso |
|
Pb1 .3581 .2469 .1056 .5 1.92 |
|
Tl1 .3581 .2469 .1056 .5 1.92 |
|
Pb2 .3361 .1223 .6351 .5 2.85 |
|
Tl2 .3361 .1223 .6351 .5 2.85 |
|
As1 .1081 .1948 .7040 1.84 |
|
As2 .0994 .1848 .1261 2.00 |
|
As3 .4362 .1153 .1344 1.86 |
|
As4 .1364 .0480 .2151 1.94 |
|
As5 .3814 .0288 .9545 1.91 |
|
S1 .3934 .1899 .3644 1.82 |
|
S2 .4090 .1906 .8628 1.61 |
|
S3 .1123 .2540 .3704 1.46 |
|
S4 .1289 .1377 .3247 1.64 |
|
S5 .1128 .1466 .8953 1.55 |
|
S6 .3878 .0151 .6838 2.27 |
|
S7 .1942 .0573 .9521 2.41 |
|
S8 .4390 .0672 .3275 1.99 |
|
S9 .0086 .0799 .5859 1.70 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rathite |
|
Marumo F, Nowacki W |
|
Zeitschrift fur Kristallographie 122 (1965) 433-456 |
|
The crystal structure of rathite-I |
|
Locality: Legenbach quarry, Binnatal, Switzerland |
|
_database_code_amcsd 0010628 |
|
25.16 7.94 8.47 90 100.47 90 P2_1/a |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb1 .79493 .24587 .52425 .00158 .01394 .01032 -.00011 .00074 .00072 |
|
Pb2 .29663 .25004 .02117 .00216 .02104 .01225 -.00172 .00002 .00526 |
|
Pb3 .07201 .08812 .90401 .00153 .01644 .01229 .00023 .00127 .00284 |
|
As1 .65908 .14956 .70133 .00101 .01126 .00781 .00005 .00087 -.00012 |
|
As2 .64775 .16774 .24983 .00103 .01026 .01132 .00054 .00099 .00184 |
|
As3 .45735 .15358 .31332 .00149 .01391 .01729 .00080 .00259 .00252 |
|
As4 .44043 .16767 .86116 .00098 .01178 .00775 -.00014 .00066 -.00009 |
|
As5a .07434 .0154 .4164 .666 .00153 .02030 .01412 .00008 .00090 .00230 |
|
As5b .05005 .0316 .4270 .334 .00050 .01299 .00930 .00023 .00080 -.00111 |
|
S1 .26381 .0017 .2580 .00107 .00821 .00847 .00040 .00071 .00103 |
|
S2 .72350 .0211 .2494 .00086 .00889 .00804 .00038 .00062 .00003 |
|
S3 .17470 .1793 .4949 .00105 .00676 .00704 -.00018 .00070 -.00111 |
|
S4 .18042 .1696 .9055 .00108 .00802 .00905 -.00042 .00129 -.00139 |
|
S5 .88749 .1612 .3051 .00094 .00753 .00767 -.00033 .00056 .00065 |
|
S6 .87973 .1200 .8307 .00111 .00711 .00828 .00033 .00037 .00074 |
|
S7 .40154 .0184 .6328 .00102 .00945 .00650 -.00025 .00085 .00049 |
|
S8 .40741 .0078 .0405 .00172 .00837 .00862 .00011 .00164 .00110 |
|
S9 .01249 .1999 .5872 .00174 .01252 .00896 .00055 .00064 .00000 |
|
S10 .00907 .1833 .1798 .00097 .01133 .00856 .00022 .00073 -.00169 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Luzonite |
|
Marumo F, Nowacki W |
|
Zeitschrift fur Kristallographie 124 (1967) 1-8 |
|
A refinement of the crystal structure of luzonite, Cu3AsS4 |
|
Locality: Cerro de Pasco, Peru |
|
_database_code_amcsd 0010631 |
|
5.332 5.332 10.570 90 90 90 I-42m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu1 0 .5 .25 1.58 .01366 .01366 .00364 0 0 0 |
|
Cu2 0 0 .5 1.58 .01388 .01388 .00352 0 0 0 |
|
As 0 0 0 .685 .55 .00441 .00441 .00143 0 0 0 |
|
Sb 0 0 0 .315 .55 .00441 .00441 .00143 0 0 0 |
|
S .2442 .2442 .1248 1.00 .00865 .00865 .00232 .00004 -.00004 -.00004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dufrenoysite |
|
Marumo F, Nowacki W |
|
Zeitschrift fur Kristallographie 124 (1967) 409-419 |
|
The crystal structure of dufrenoysite, Pb16As16S40 |
|
Locality: Lengenbach, Binnatal, Switzerland |
|
_database_code_amcsd 0010643 |
|
7.90 25.74 8.37 90 90.35 90 P2_1 |
|
atom x y z Biso |
|
Pb1 .017 .001 .871 3 |
|
Pb2 .978 .4975 .636 3 |
|
Pb3 .518 .096 .868 3 |
|
Pb4 .522 .096 .368 3 |
|
Pb5 .202 .226 .876 3 |
|
Pb6 .308 .3725 .135 3 |
|
Pb7 .660 .256 .639 3 |
|
Pb8 .187 .2285 .395 3 |
|
As1 .954 .139 .199 3 |
|
As2 .950 .136 .609 3 |
|
As3 .552 .4595 .884 3 |
|
As4 .548 .451 .433 3 |
|
As5 .883 .363 .373 3 |
|
As6 .871 .351 .947 3 |
|
As7 .258 .351 .632 3 |
|
As8 .625 .233 .104 3 |
|
S1 .263 .031 .123 3 |
|
S2 .786 .073 .115 3 |
|
S3 .110 .113 .830 1 |
|
S4 .409 .181 .119 1 |
|
S5 .222 .691 .082 1 |
|
S6 .428 .315 .423 4 |
|
S7 .426 .309 .839 2 |
|
S8 .047 .296 .646 3 |
|
S9 .042 .299 .115 3 |
|
S10 .080 .415 .909 3 |
|
S11 .375 .487 .061 2 |
|
S12 .740 .405 .183 4 |
|
S13 .738 .399 .600 1 |
|
S14 .274 .020 .614 4 |
|
S15 .783 .068 .620 1 |
|
S16 .124 .104 .435 4 |
|
S17 .407 .181 .623 2 |
|
S18 .774 .201 .302 4 |
|
S19 .106 .417 .424 3 |
|
S20 .392 .481 .669 2 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hatchite |
|
Marumo F, Nowacki W |
|
Zeitschrift fur Kristallographie 125 (1967) 249-265 |
|
The crystal structure of hatchite, PbTlAgAs2S5 |
|
Locality: Legenbach quarry, Binnatal, Switzerland |
|
_database_code_amcsd 0010647 |
|
9.37 7.84 8.06 66.42 63.33 84.97 P-1 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb1 .4064 .2473 .0574 .6 .012 .010 .014 .0015 -.007 -.0055 |
|
Tl1 .4064 .2473 .0574 .4 .012 .010 .014 .0015 -.007 -.0055 |
|
Tl2 .1322 .6968 .7249 .6 .016 .026 .018 .0045 -.009 -.011 |
|
Pb2 .1322 .6968 .7249 .4 .016 .026 .018 .0045 -.009 -.011 |
|
Ag .0853 .8910 .1553 .016 .015 .016 .002 -.0045 -.004 |
|
As1 .1928 .455 .4228 .011 .010 .010 .002 -.005 -.0055 |
|
As2 .3670 .1068 .6698 .013 .009 .012 .001 -.007 -.005 |
|
S1 .452 .371 .371 .011 .013 .013 .000 -.0065 -.0035 |
|
S2 .246 .624 .099 .010 .014 .016 .002 -.0065 -.007 |
|
S3 .414 .869 .286 .011 .012 .013 .001 -.0055 -.0055 |
|
S4 .091 .182 .474 .013 .011 .018 .001 -.0085 -.0065 |
|
S5 .183 .215 .891 .009 .016 .012 .002 -.0045 -.0075 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Marrite |
|
Wuensch B J, Nowacki W |
|
Zeitschrift fur Kristallographie 125 (1967) 459-488 |
|
The crystal structure of marrite, PbAgAsS3 |
|
Locality: Lengenbach quarry, Binnatal, Switzerland |
|
_database_code_amcsd 0010652 |
|
7.2705 12.6319 5.9853 90 91.228 90 P2_1/a |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb .3383 .4111 .2521 .0032 .0022 .0095 .0000 .0016 .0004 |
|
Ag .3882 .7633 .1851 .0131 .0041 .0153 -.0035 .0039 .0006 |
|
As .3557 .0906 .2786 .0084 .0006 .0047 -.0005 .0016 .0007 |
|
S1 .1460 .2145 .3817 .0079 .0010 .0108 -.0006 .0036 -.0011 |
|
S2 .1528 .6230 .0926 .0027 .0025 .0079 .0001 .0021 -.0017 |
|
S3 .1658 .9481 .2870 .0138 .0009 .0061 -.0003 .0034 .0000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Gratonite |
|
Ribar B, Nowacki W |
|
Zeitschrift fur Kristallographie 128 (1969) 321-338 |
|
Neubestimmung der kristallstruktur von gratonit, Pb9As4S15 |
|
Locality: Wiesloch, Germany |
|
_database_code_amcsd 0010673 |
|
17.758 17.758 7.807 90 90 120 R3m |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb1 .7754 .7564 -.0004 .00190 .00187 .00794 .00102 -.00020 -.00017 |
|
Pb2 .7539 .2461 -.1581 .00196 .00194 .00815 .00095 -.00002 .00002 |
|
As1 .5225 .4775 -.1179 .00185 .00185 .00670 .00100 .00018 -.00018 |
|
As2 0 0 .0569 .00154 .00154 .00650 .00077 0 0 |
|
S1 .3663 .0876 -.3249 .00076 .00165 .00900 .00027 -.00006 -.00122 |
|
S2 .9145 .0855 -.2826 .00201 .00201 .01547 .00166 -.00007 .00007 |
|
S3 .6009 .3991 -.4704 .00147 .00147 .00398 .00098 .00054 -.00054 |
|
S4 .1484 .8516 -.2300 .00157 .00157 .00955 .00040 .00068 -.00068 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Trechmannite |
|
Matsumoto T, Nowacki W |
|
Zeitschrift fur Kristallographie 129 (1969) 163-177 |
|
The crystal structure of trechmannite, AgAsS2 |
|
Locality: Lengenbach quarry, Binnatal, Canton Wallis, Switzerland |
|
_database_code_amcsd 0010682 |
|
13.98 13.98 9.12 90 90 120 R-3 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ag .3330 .0822 .9880 .00387 .00347 .00805 .00165 .00047 -.00050 |
|
As .6222 .1700 .0227 .00279 .00271 .00561 .00135 .00006 .00003 |
|
S1 .3608 .1101 .4996 .00200 .00213 .00474 .00080 -.00019 -.00016 |
|
S2 .6243 .1752 .5219 .00228 .00227 .00495 .00113 -.00037 .00019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Baumhauerite |
|
Engel P, Nowacki W |
|
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
|
| |
|
Zn(NO3)2(H2O)2 |
| |
Ribar B, Nowacki W, Sljukic M, Scavnicar S, Gabela F |
|
Zeitschrift fur Kristallographie 129 (1969) 305-317 |
|
Die kristallstruktur von Zn(NO3)2*2H2O |
|
_database_code_amcsd 0010691 |
|
5.754 5.978 8.557 90 91.03 90 P2_1/c |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Zn .5 0 .5 2.67 .0204 .0182 .0093 -.0004 .0007 -.0001 |
|
N .2557 .3413 .3032 2.37 .0239 .0116 .0078 .0041 .0007 .0008 |
|
O1 .0721 .4165 .2470 3.24 .0233 .0208 .0125 .0010 .0004 .0036 |
|
O2 .4414 .3668 .2386 2.82 .0171 .0252 .0090 .0046 .0056 .0037 |
|
O3 .2432 .2250 .4213 2.46 .0199 .0234 .0048 -.0014 .0018 .0022 |
|
Ow4 .7457 .2428 .4884 2.49 .0240 .0196 .0051 -.0029 -.0009 -.0009 |
|
H1 .675 .295 .395 2.5 |
|
H2 .90 .24 .51 2.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dufrenoysite |
|
Ribar B, Nicca C, Nowacki W |
|
Zeitschrift fur Kristallographie 130 (1969) 15-40 |
|
Dreidimensionale verfeinerung der kristallstruktur von dufrenoysit, Pb8As8S20 |
|
Locality: Lengenbach, Binnatal, Switzerland |
|
_database_code_amcsd 0010695 |
|
7.90 25.740 8.37 90 90.35 90 P2_1 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pb1 .0142 .0004 .8758 .0123 .0010 .0080 .00065 .00410 .00050 |
|
Pb2 .9751 .4975 .6322 .0079 .0010 .0088 .00005 .00040 .00055 |
|
Pb3 .5253 .0944 .8759 .0142 .0011 .0124 .00075 .00520 .00030 |
|
Pb4 .5153 .0951 .3819 .0101 .0009 .0079 .00002 .00175 .00030 |
|
Pb5 .1897 .2250 .8799 .0087 .0006 .0068 .00000 .00040 .00015 |
|
Pb6 .3193 .3723 .1384 .0070 .0007 .0071 .00005 .00015 .00005 |
|
Pb7 .6667 .2550 .6448 .0025 .0008 .0041 .00000 .00050 .00055 |
|
Pb8 .2141 .2281 .3994 .0069 .0005 .0051 .00010 .00070 .00025 |
|
As1 .9567 .1426 .1687 .0060 .0007 .0068 .00015 .00010 .00020 |
|
As2 .9448 .1345 .6333 .0066 .0004 .0081 .00010 .00070 .00035 |
|
As3 .5590 .4607 .8887 .0062 .0005 .0107 .00015 .00085 .00050 |
|
As4 .5422 .4514 .4414 .0055 .0006 .0046 .00010 .00245 .00070 |
|
As5 .8837 .3626 .3748 .0046 .0006 .0082 .00030 .00020 .00040 |
|
As6 .8837 .3518 .9501 .0069 .0006 .0066 .00020 .00100 .00045 |
|
As7 .2987 .3530 .6391 .0032 .0017 .0026 .00060 .00175 .00120 |
|
As8 .6356 .2343 .1199 .0062 .0007 .0076 .00070 .00045 .00060 |
|
S1 .2714 .0310 .1193 .0065 .0007 .0120 .00035 .00105 .00135 |
|
S2 .7950 .0720 .1310 .0091 .0007 .0032 .00055 .00465 .00025 |
|
S3 .1192 .1100 .8220 .0039 .0008 .0041 .00025 .00170 .00020 |
|
S4 .4053 .1817 .125 .0072 .0007 .0071 .00020 .00175 .00010 |
|
S5 .7741 .1958 .915 .0088 .0009 .0051 .00095 .00225 .00060 |
|
S6 .4400 .3081 .4091 .0066 .0009 .0083 .00025 .00365 .00085 |
|
S7 .4488 .3066 .8535 .0086 .0005 .0128 .00080 .00215 .00050 |
|
S8 .0616 .2976 .6326 .0072 .0013 .0044 .00045 .00040 .00090 |
|
S9 .0430 .2998 .1150 .0084 .0003 .0111 .00015 .00430 .00035 |
|
S10 .0752 .4136 .8967 .0056 .0008 .0036 .00015 .00050 .00010 |
|
S11 .3926 .4850 .0875 .0055 .0003 .0046 .00020 .00055 .00000 |
|
S12 .7385 .3977 .1533 .0053 .0009 .0056 .00005 .00380 .00000 |
|
S13 .7306 .4027 .5885 .0073 .0004 .0077 .00030 .00175 .00095 |
|
S14 .3012 .0217 .6038 .0067 .0007 .0040 .00045 .00325 .00095 |
|
S15 .7698 .0660 .6316 .0070 .0006 .0119 .00030 .00130 .00010 |
|
S16 .1061 .1134 .3963 .0064 .0007 .0095 .00025 .00450 .00015 |
|
S17 .4248 .1822 .6167 .0064 .0008 .0035 .00035 .00025 .00070 |
|
S18 .7782 .1926 .3187 .0068 .0010 .0123 .00020 .00030 .00055 |
|
S19 .1049 .4187 .3755 .0075 .0006 .0098 .00015 .00640 .00055 |
|
S20 .3920 .4819 .6663 .0069 .0006 .0064 .00010 .00050 .00080 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rathite |
|
Engel P, Nowacki W |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Bournonite |
|
Edenharter A, Nowacki W, Takeuchi Y |
|
Zeitschrift fur Kristallographie 131 (1970) 397-417 |
|
Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] |
|
und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] |
|
Locality: Kanton Graubunden |
|
_database_code_amcsd 0010713 |
|
8.153 8.692 7.793 90 90 90 Pn2_1m |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pbl .07380 .99050 0 .00621 .00552 .00595 .00010 0 0 |
|
Pb2 .55709 .17696 .5 .00670 .00489 .00553 .00016 0 0 |
|
Sbl .07050 .04091 .5 .00671 .00346 .00549 -.00043 0 0 |
|
Sb2 .50655 .14958 0 .00732 .00611 .00621 .00007 0 0 |
|
Cu .27597 .42275 .24384 .00816 .00680 .00623 .00018 -.00057 -.00105 |
|
S1 .23995 .27917 0 .00768 .00369 .00568 .00082 0 0 |
|
S2 .23187 .28860 .5 .00598 .00337 .00534 .00017 0 0 |
|
S3 .10572 .63870 .23753 .00501 .00617 .00491 .00071 .00036 .00135 |
|
S4 .56333 .48165 .26830 .00717 .00594 .00527 -.00035 .00010 .00025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Seligmannite |
|
Edenharter A, Nowacki W, Takeuchi Y |
|
Zeitschrift fur Kristallographie 131 (1970) 397-417 |
|
Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] |
|
und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] |
|
Locality: Lengenbach, Binnatal, Switzerland |
|
_database_code_amcsd 0010715 |
|
8.076 8.737 7.634 90 90 90 Pn2_1m |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Pbl .07903 .00610 0 .00406 .00488 .00684 -.00019 0 0 |
|
Pb2 .55368 .19272 .5 .00465 .00469 .00543 .00016 0 0 |
|
Asl .06319 .07360 .5 .00353 .00347 .00508 -.00056 0 0 |
|
As2 .49593 .15737 0 .00324 .00428 .00496 -.00030 0 0 |
|
Cu .27430 .42756 .24108 .00711 .00612 .00746 .00035 -.00063 -.00098 |
|
S1 .24854 .27905 0 .00492 .00451 .00546 -.00001 0 0 |
|
S2 .22196 .29237 .5 .00362 .00374 .00559 -.00039 0 0 |
|
S3 .10420 .64340 .22935 .00493 .00485 .00627 .00119 .00020 .00025 |
|
S4 .55870 .49398 .27527 .00544 .00489 .00529 -.00029 -.00062 -.00009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aikinite |
|
Ohmasa M, Nowacki W |
|
Zeitschrift fur Kristallographie 132 (1970) 71-86 |
|
A redetermination of the crystal structure of aikinite [BiS2|S|CuIVPbVII] |
|
Locality: Beresowsk, Ural |
|
_database_code_amcsd 0010716 |
|
11.638 4.039 11.319 90 90 90 Pnma |
|
atom x y z Biso |
|
Bi .0189 1/4 0.6827 2.53 |
|
S1 .7160 1/4 0.6986 1.87 |
|
S2 .0467 1/4 0.1400 2.11 |
|
S3 .3775 1/4 0.0559 2.10 |
|
Cu .2338 1/4 0.2085 3.75 |
|
Pb .8329 1/4 0.0105 3.13 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Vrbaite |
|
Ohmasa M, Nowacki W |
|
Zeitschrift fur Kristallographie 134 (1971) 360-380 |
|
The crystal structure of vrbaite, Hg3Tl4As8Sb2S20 |
|
Locality: Allchar, Macedonia |
|
_database_code_amcsd 0010725 |
|
11.287 23.389 13.399 90 90 90 Aba2 |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Hg1 0 0 0 .00483 .00077 .00095 -.00042 0 0 |
|
Hg2 .07614 .05623 .50323 .00576 .00116 .00140 -.00091 -.00114 .00063 |
|
Tl1 .20730 .38707 .25336 .00731 .00088 .00334 .00051 -.00022 .00009 |
|
Tl2 .43836 .27189 .24997 .00562 .00137 .00222 .00100 .00053 .00041 |
|
As1 .09991 .05352 .24328 .00223 .00031 .00101 .00004 -.00013 -.00007 |
|
As2 .39537 .04862 .26024 .00195 .00047 .00053 .00005 -.00008 .00000 |
|
As3 .40562 .30217 .50620 .00191 .00033 .00067 -.00002 -.00022 -.00013 |
|
As4 .10902 .29338 .50094 .00150 .00045 .00078 -.00003 .00017 -.00015 |
|
Sb .28910 .15836 .49086 .00294 .00045 .00189 -.00043 .00020 -.00016 |
|
S1 .0102 .0906 .1097 .00419 .00046 .00099 .00033 -.00103 -.00006 |
|
S2 .1801 .4954 .3828 .00314 .00079 .00077 .00005 -.00010 .00026 |
|
S3 .2481 .3643 .5030 .00258 .00035 .00238 .00023 -.00035 -.00003 |
|
S4 .1761 .4996 .1266 .00434 .00039 .00111 -.00017 .00025 -.00008 |
|
S5 .4783 .1662 .3916 .00245 .00059 .00098 -.00010 -.00017 -.00012 |
|
S6 .1880 .2343 .3839 .00205 .00064 .00096 .00004 -.00006 -.00011 |
|
S7 .2526 .1185 .2577 .00295 .00037 .00152 .00006 -.00023 -.00019 |
|
S8 .4777 .4092 .3594 .00309 .00080 .00089 -.00052 -.00004 -.00004 |
|
S9 .4772 .1571 .1160 .00369 .00061 .00139 -.00046 .00102 -.00009 |
|
S10 .1715 .2349 .1144 .00281 .00051 .00079 .00018 -.00015 -.00003 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Stibnite |
|
Bayliss P, Nowacki W |
|
Zeitschrift fur Kristallographie 135 (1972) 308-315 |
|
Refinement of the crystal structure of stibnite, Sb2S3 |
|
_database_code_amcsd 0010729 |
|
11.3107 3.8363 11.2285 90 90 90 Pnma |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Sb1 .0293 .25 .3261 .0030 .0144 .0025 0 .0006 0 |
|
Sb2 .1495 .75 .0360 .0027 .0230 .0036 0 .0013 0 |
|
S1 .0497 .25 .8769 .0032 .0180 .0027 0 .0004 0 |
|
S2 .1251 .75 .4386 .0035 .0177 .0024 0 .0008 0 |
|
S3 .2079 .25 .1917 .0031 .0267 .0023 0 .0002 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Realgar |
|
Mullen D J E, Nowacki W |
|
Zeitschrift fur Kristallographie 136 (1972) 48-65 |
|
Refinement of the crystal structures of realgar, AsS and orpiment, As2S3 |
|
Locality: Lengenbach quarry, Binnatal, Switzerland |
|
_database_code_amcsd 0010732 |
|
9.325 13.571 6.587 90 106.38 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) |
|
As1 .12199 .02060 .76392 .00903 .00301 .01723 .00127 .00720 .00144 |
|
As2 .42373 .86090 .85582 .00767 .00315 .01989 .00036 .01062 -.00069 |
|
As3 .32051 .87334 .17716 .00828 .00364 .01522 .00053 .00684 .00149 |
|
As4 .04014 .83917 .71491 .00820 .00369 .01828 -.00171 .00634 -.00130 |
|
S1 .34521 .00604 .70138 .00881 .00284 .01781 -.00096 .01136 .00163 |
|
S2 .21388 .02299 .11566 .00842 .00316 .01570 .00043 .00829 -.00209 |
|
S3 .23875 .77413 .63924 .00999 .00299 .01826 -.00138 .01049 -.00382 |
|
S4 .10702 .78976 .05105 .00901 .00368 .01856 -.00233 .01176 .00225 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orpiment |
|
Mullen D J E, Nowacki W |
|
Zeitschrift fur Kristallographie 136 (1972) 48-65 |
|
Refinement of the crystal structures of realgar, AsS and orpiment, As2S3 |
|
Locality: Lengenbach quarry, Binnatal, Switzerland |
|
_database_code_amcsd 0010733 |
|
11.475 9.577 4.256 90 90.68 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) |
|
As1 .26469 .19171 .86274 .00372 .00633 .0279 -.00025 -.00344 .00187 |
|
As2 .48677 .32122 .36072 .00397 .00596 .0278 -.00029 -.00338 -.00169 |
|
S1 .40151 .12128 .50811 .00461 .00516 .0255 .00167 .0002 -.0008 |
|
S2 .34738 .39723 .0101 .00446 .00602 .0306 .00109 -.0066 .0006 |
|
S3 .12234 .29354 .55896 .00388 .00629 .0276 .00073 -.0046 .0055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Freieslebenite |
|
Ito T, Nowacki W |
|
Zeitschrift fur Kristallographie 139 (1974) 85-102 |
|
The crystal structure of freieslebenite, PbAgSbS3 |
|
Locality: Vascongadas, Spain |
|
_database_code_amcsd 0010760 |
|
7.518 12.809 5.940 90 92.25 90 P2_1/a |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .35000 .41512 .25309 .0194 .0237 .0230 .0005 .0012 .0013 |
|
Ag .37786 .75971 .2117 .0354 .0347 .0386 -.0141 .0031 .0041 |
|
Sb .36516 .08716 .27172 .0130 .0155 .0162 -.0009 .0003 .0008 |
|
S1 .1384 .2192 .3457 .0142 .0134 .0249 -.0011 .0028 -.0020 |
|
S2 .1350 .6215 .1308 .0170 .0198 .0151 .0035 .0024 -.0001 |
|
S3 .1475 .9416 .2659 .0142 .0131 .0180 -.0016 .0038 .0012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jordanite |
|
Ito T, Nowacki W |
|
Zeitschrift fur Kristallographie 139 (1974) 161-185 |
|
The crystal structure of jordanite, Pb28As12S46 |
|
Locality: Binnatal, Switzerland |
|
_database_code_amcsd 0010762 |
|
8.918 31.899 8.462 90 117.79 90 P2_1/m |
|
atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 .4469 .05466 .3504 1.65 .0203 .0191 .0215 .0032 .0082 .0012 |
|
Pb2 .4392 .05194 .8422 .5 2.01 .0129 .0469 .0153 -.0070 .0054 -.0111 |
|
As2 .4392 .05194 .8422 .5 2.01 .0129 .0469 .0153 -.0070 .0054 -.0111 |
|
Pb3 .9040 .04119 .3167 1.65 .0143 .0232 .0206 .0020 .0043 .0007 |
|
As4 .9194 .05256 .8299 .85 .0068 .0093 .0141 -.0004 .0030 -.0028 |
|
Pb5 .2648 .14226 -.0028 2.10 .0197 .0361 .0219 .0074 .0079 .0063 |
|
As6 .2758 .14284 .5082 1.54 .0158 .018 .019 .0024 .0039 .0033 |
|
Pb7 .7904 .15071 .0176 1.54 .0192 .0191 .0190 .0003 .0080 .0002 |
|
Pb8 .7925 .15021 .5149 1.38 .0180 .0165 .0162 -.0001 .0065 -.0001 |
|
Pb9 .1222 .25 .1714 1.88 .0225 .0258 .0208 0 .0080 0 |
|
Pb10 .1215 .25 .6896 1.83 .0233 .0237 .0232 0 .0114 0 |
|
As11 .6158 .2265 .1766 .5 1.25 .015 .007 .022 .001 .005 .000 |
|
Pb12 .5504 .25 .6395 .88 2.55 .0404 .016 .0388 0 .0172 0 |
|
S1 .3095 .0031 .0123 1.34 .003 .022 .018 .001 -.002 -.011 |
|
S2 .3067 .0051 .5504 1.22 .010 .011 .029 .002 .012 .007 |
|
S3 .0460 .0862 .1005 .89 .007 .012 .009 -.004 -.002 -.001 |
|
S4 .0511 .0853 .6864 .88 .009 .011 .018 .001 .009 .001 |
|
S5 .6520 .0969 .2028 1.04 .010 .016 .008 -.007 -.001 -.001 |
|
S6 .6733 .0910 .7073 .87 .009 .009 .016 .002 .006 .002 |
|
S7 .4061 .1767 .3744 1.71 .007 .037 .022 .005 .008 .001 |
|
S8 .4021 .1774 .7699 1.38 .021 .017 .011 .005 .005 .005 |
|
S9 .0307 .1791 .3838 .86 .002 .016 .013 .000 .002 .005 |
|
S10 .9940 .1935 .8688 .92 .016 .008 .015 -.001 .011 -.004 |
|
S11 .3783 .2617 .055 .5 .79 .006 .006 .015 -.004 .002 .002 |
|
S12 .7520 .25 .032 1.79 .007 .038 .023 0 .007 0 |
|
S13 .7521 .25 .455 1.56 .013 .017 .026 0 .006 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Samsonite |
|
Edenharter A, Nowacki W |
|
Zeitschrift fur Kristallographie 140 (1974) 87-99 |
|
Verfeinerung der kristallstruktur von samsonit (SbS3)2Ag2Ag2Mn |
|
Locality: Andreasberg, Harz, Germany |
|
_database_code_amcsd 0010764 |
|
10.362 8.101 6.647 90 92.63 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) |
|
Mn 0 0 .5 .0034 .0054 .0122 .0003 .00095 .00045 |
|
Sb .18420 .16426 .03853 .0025 .0036 .0105 .0006 .0005 .0002 |
|
Ag1 .30762 .2455 .5724 .0052 .0191 .0170 -.00445 .0023 -.00205 |
|
Ag2 .4966 .9691 .7606 .0196 .0087 .0229 -.0083 .0020 -.00385 |
|
S1 .0919 .2689 .3432 .0035 .0039 .0110 .0001 .0006 .0005 |
|
S2 .9823 .1737 .8311 .0027 .0051 .0100 .0001 .0003 -.00055 |
|
S3 .7643 .0793 .3882 .0023 .0045 .0153 .0007 .0003 -.0012 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cosalite |
|
Srikrishnan T, Nowacki W |
|
Zeitschrift fur Kristallographie 140 (1974) 114-136 |
|
A redetermination of the crystal structure of cosalite, Pb2Bi2S5 |
|
Locality: Cariboo gold mines, Wells, British Columbia, Canada |
|
_database_code_amcsd 0010765 |
|
19.098 23.89 4.057 90 90 90 Pbnm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Bi1 .98212 .15503 .25 .00055 .00105 .025 .00000 0 0 |
|
Bi2 .09276 .3033 .25 .00068 .00105 .030 .00000 0 0 |
|
Bi3 .08994 .01082 .75 .00091 .00121 .023 -.00001 0 0 |
|
Bi4 .18547 .17157 .75 .00064 .00112 .032 .00003 0 0 |
|
Pb1 .27415 .04064 .25 .00089 .00126 .027 .00003 0 0 |
|
Pb2 .03437 .43512 .75 .00184 .00154 .045 -.00006 0 0 |
|
Pb3 .38270 .20591 .25 .00134 .00140 .033 .00001 0 0 |
|
Pb4 .29262 .37318 .25 .00093 .00162 .034 -.00001 0 0 |
|
S1 .4766 .1384 .75 .0004 .0009 .024 -.0001 0 0 |
|
S2 .0292 .2286 .75 .0004 .0017 .014 -.0001 0 0 |
|
S3 .4141 .9987 .25 .0011 .0013 .028 .0006 0 0 |
|
S4 .1518 .3623 .75 .0008 .0009 .041 -.0001 0 0 |
|
S5 .2823 .4646 .75 .0009 .0016 .018 -.0000 0 0 |
|
S6 .2279 .2376 .25 .0002 .0011 .035 -.0001 0 0 |
|
S7 .1278 .0884 .25 .0004 .0009 .048 .0005 0 0 |
|
S8 .3066 .1244 .75 .0004 .0013 .008 .0001 0 0 |
|
S9 .3622 .2959 .75 .0013 .0013 .009 -.0002 0 0 |
|
S10 .4346 .4152 .25 .0007 .0012 .011 .0001 0 0 |
|
Cu .386 .057 .75 .12 .0027 .0022 .08 .0006 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Zinkenite |
|
Portheine J C, Nowacki W |
|
Zeitschrift fur Kristallographie 141 (1975) 79-96 |
|
Refinement of the crystal structure of zinckenite, Pb6Sb14S27 |
|
Sample: Bolivar mine, Cerro Bonete, Bolivia |
|
_database_code_amcsd 0010769 |
|
22.148 22.148 4.333 90 90 120 P6_3 |
|
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 .5365 .2434 .238 3.24 .0016 .0018 .058 .00065 .0020 .0010 |
|
Pb2 0 0 .365 .19 4.6 |
|
Pb3 0 0 .125 .18 1.8 |
|
Sb4 .1994 .0399 .775 .50 3.72 .0014 .0037 .042 .00095 .0045 .008 |
|
Pb4 .1994 .0399 .775 .38 3.72 .0014 .0037 .042 .00095 .0045 .008 |
|
Sb1 .4002 .0551 .769 2.04 .0013 .0014 .032 .0008 .0040 .0075 |
|
Sb2 .3484 .2430 .744 2.93 .0014 .0014 .049 .00015 .005 .0025 |
|
Sb3 .5178 .4090 .768 1.99 .0009 .0011 .038 .00035 -.0035 -.0055 |
|
S1 .127 .115 .76 .75 |
|
S2 .314 .031 .321 2.0 |
|
S3 .498 .082 .356 1.3 |
|
S4 .276 .172 .349 1.8 |
|
S5 .443 .320 .165 1.8 |
|
S6 .435 .179 .824 1.1 |
|
S7 .635 .233 .735 1.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Livingstonite |
|
Srikrishnan T, Nowacki W |
|
Zeitschrift fur Kristallographie 141 (1975) 174-192 |
|
A redetermination of the crystal structure of livingstonite, HgSb4S8 |
|
Locality: Huitzuco, Guerrero, Mexico |
|
_database_code_amcsd 0010773 |
|
30.567 4.015 21.465 90 103.39 90 A2/a |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Hg1 0 .5 0 .00188 .086 .00303 .0002 .00065 -.00075 |
|
Hg2 .25 .0089 0 .00177 .081 .00266 0 .0006 0 |
|
Sb1 .0395 .0628 .2115 .0014 .086 .00229 -.0009 .0007 .00015 |
|
Sb2 .1244 .0563 .0779 .00134 .083 .00200 -.0026 .00055 -.00205 |
|
Sb3 .1355 .0586 .4281 .00125 .080 .00217 -.00205 .0005 -.00145 |
|
Sb4 .2057 .1091 .2847 .00185 .078 .00228 .0028 .00085 .0013 |
|
S1 .0148 .005 .3169 .0010 .039 .0023 .003 .0013 .0035 |
|
S2 .0642 .517 .0979 .0003 .037 .0010 -.0015 -.00015 -.001 |
|
S3 .0757 .516 .4625 .0015 .039 .0011 -.0035 .00075 -.0025 |
|
S4 .1077 .501 .2881 .0005 .070 .0010 -.0005 .0001 .002 |
|
S5 .1527 .511 .2300 .0013 .026 .0005 .001 -.00065 -.001 |
|
S6 .1698 .520 .0352 .0015 .064 .0049 -.0050 .00125 -.002 |
|
S7 .2060 .512 .4216 .0035 .002 .0036 -.002 .0026 -.0015 |
|
S8 .2177 .024 .1795 .0004 .073 .0024 -.0005 .0006 -.0025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Imhofite |
|
Divjakovic V, Nowacki W |
|
Zeitschrift fur Kristallographie 144 (1976) 323-333 |
|
Die kristallstruktur von imhofit, Tl5.6As15S25.3 |
|
Locality: synthetic |
|
_database_code_amcsd 0010785 |
|
8.755 24.425 5.739 90 108.28 90 P2_1/n |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Tl1 .0492 .1587 -.0266 4.1 .0156 .0017 .0321 -.0006 .0046 -.0009 |
|
Tl2 .2692 .4626 .400 .27 4.9 |
|
Tl2A .171 .4579 .372 .13 5.0 |
|
As1 .9156 .2629 .2780 2.1 .0069 .0006 .023 .0003 .0033 -.0005 |
|
As2 .8862 .4074 .2332 .75 1.5 .0097 .0003 .007 -.0000 .0011 .0002 |
|
As3 .5781 .1616 .3288 1.3 .0052 .0008 .0077 .0002 .0015 .0007 |
|
As4 .2225 .4699 .0965 .5 1.6 .0063 .0006 .011 .0001 .0001 .0009 |
|
As5 .7244 .0330 .1683 .5 1.8 .0056 .0006 .018 .0001 -.0006 -.0000 |
|
S1 .9137 .0272 -.030 .5 2.3 |
|
S2 .3814 .0879 .122 3.0 .0123 .0012 .023 -.0019 .005 -.0014 |
|
S3 .7431 .3308 .074 2.5 .0096 .0009 .018 .0001 -.001 .0006 |
|
S4 .8171 .1027 .437 2.6 .0102 .0010 .021 -.0000 .002 -.0013 |
|
S5 .6782 .4664 .074 .83 2.7 .0089 .0008 .025 .0016 -.002 .0005 |
|
S6 .1347 .3175 .461 2.2 .0076 .0012 .011 -.0007 .001 .0004 |
|
S7 .3280 .2507 .093 2.5 .0116 .0012 .019 -.0008 .011 -.0016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Domeykite |
|
Iglesias J E, Nowacki W |
|
Zeitschrift fur Kristallographie 145 (1977) 334-345 |
|
Refinement of the crystal structure of alpha domeykite, |
|
a structure related to the A15 type |
|
Locality: Mohawk No. 2 mine, Keweenaw County, Michigan, USA |
|
_database_code_amcsd 0010794 |
|
9.619 9.619 9.619 90 90 90 I-43d |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu -.0293 .1202 .1876 .0029 .0023 .0044 -.0001 .0009 .0001 |
|
As -.02980 -.02980 -.02980 .00190 .00190 .00190 -.00009 -.00009 -.00009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Simonite |
|
Engel P, Nowacki W, Balic-Zunic T, Scavnicar S |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pierrotite |
|
Engel P, Gostojic M, Nowacki W |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Eu S |
| |
Beck G, Nowacki W |
| |
Naturwissenschaften 26 (1938) 495-496 |
|
Herstellung und Kristallstruktur von Eu S und Eu F2 |
|
_cod_database_code 1010394 |
|
_database_code_amcsd 0017319 |
|
5.957 5.957 5.957 90 90 90 Fm3m |
|
atom x y z |
|
Eu1 0 0 0 |
|
S1 .5 .5 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Eu F2 |
| |
Beck G, Nowacki W |
| |
Naturwissenschaften 26 (1938) 495-496 |
|
Herstellung und Kristal-struktur von Eu S und Eu F2 |
|
_cod_database_code 1010395 |
|
_database_code_amcsd 0017320 |
|
5.796 5.796 5.796 90 90 90 Fm3m |
|
atom x y z |
|
Eu1 0 0 0 |
|
F1 .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pyrargyrite |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tennantite |
|
Edenharter A, Koto K, Nowacki W |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1971 (1971) 337-341 |
|
Uber pearceit, polybasit und binnit |
|
_database_code_amcsd 0014744 |
|
10.232 10.232 10.232 90 90 90 I-43m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Cu1 .25 .5 0 .0035 .0015 .0015 0 0 0 |
|
Cu2 .2159 0 0 .0029 .0107 .0107 0 0 -.0094 |
|
As .2610 .2610 .2610 .85 .0020 .0020 .0020 -.0002 -.0002 -.0002 |
|
Sb .2610 .2610 .2610 .15 .0020 .0020 .0020 -.0002 -.0002 -.0002 |
|
S .1199 .1199 .3558 .0033 .0033 .0005 -.0008 -.0001 -.0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fuloppite |
|
Edenharter A, Nowacki W |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1974 (1974) 92-94 |
|
Die kristallstruktur von fuloppit Pb3Sb8S15 |
|
Locality: Baia Mare, Romania |
|
_database_code_amcsd 0014749 |
|
13.435 11.727 16.9340 90 94.7 90 C2/c |
|
atom x y z Biso |
|
Pb1 0 .3714 .25 2.29 |
|
Pb2 .3074 .4289 .3326 2.21 |
|
Sb1 .4086 .1797 .1561 1.22 |
|
Sb2 .3726 .1363 .4947 1.30 |
|
Sb3 .1402 .2513 .0605 1.12 |
|
Sb4 .0889 .0496 .4161 1.69 |
|
S1 .2664 .0278 .0359 1.05 |
|
S2 .3569 .0493 .2548 1.47 |
|
S3 .2719 .3208 .1598 1.33 |
|
S4 .0302 .4172 .0829 .85 |
|
S5 .1853 .2458 .3970 1.59 |
|
S6 .4664 .3650 .4616 1.15 |
|
S7 .0705 .1328 .1642 1.17 |
|
S8 0 .8167 .25 1.42 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Heteromorphite |
|
Edenharter A, Nowacki W |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1975 (1975) 193-195 |
|
Die kristallstruktur von heteromorphit Pb7Sb8S19 |
|
_database_code_amcsd 0014753 |
|
13.628 11.943 21.285 90 90.92 90 C2/c |
|
atom x y z |
|
Pb1 .5 .0044 .25 |
|
Pb2 .3501 .2787 .4250 |
|
Pb3 .0807 .1737 .3640 |
|
Pb4 .1971 .0695 .1878 |
|
Sb1 .3756 .3948 .0083 |
|
Sb2 .3904 -.0079 .0546 |
|
Sb3 .1529 .3831 .1039 |
|
Sb4 .4146 .3120 .1769 |
|
S1 .5 .4466 .25 |
|
S2 .1772 .3896 .3575 |
|
S3 .0830 .2764 .1893 |
|
S4 .2260 .1097 .4743 |
|
S5 .2859 .4584 .1764 |
|
S6 .2793 .1668 .0786 |
|
S7 .3550 .1851 .2550 |
|
S8 .0426 -.0018 .0852 |
|
S9 .0090 .2772 .4753 |
|
S10 .4552 .0522 .3820 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Galkhaite |
|
Divjakovic V, Nowacki W |
| |
Neues Jahrbuch fur Mineralogie, Monatshefte 1975 (1975) 291-293 |
|
Die kristallstruktur von galchait [Hg0.76(Cu,Zn)0.24]12Tl0.96(AsS3)8 |
|
Locality: Getchell mine, Humboldt County, Nevada, USA |
|
_database_code_amcsd 0014754 |
|
10.379 10.379 10.379 90 90 90 I-43m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Hg .25 .5 0 .76 3.51 .0127 .0059 .0059 0 0 0 |
|
Cu .25 .5 0 .12 3.51 .0127 .0059 .0059 0 0 0 |
|
Zn .25 .5 0 .12 3.51 .0127 .0059 .0059 0 0 0 |
|
Tl 0 0 0 5.92 .0137 .0137 .0137 0 0 0 |
|
As .2456 .2456 .2456 2.07 .0048 .0048 .0048 -.0003 -.0003 -.0003 |
|
S .3884 .3884 .1629 2.74 .0069 .0069 .0052 -.0014 .0001 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Lautite |
|
Marumo F, Nowacki W |
| |
Schweizerische Mineralogische und Petrographische Mitteilungen 44 (1964) 439-454 |
|
The crystal structure of lautite and of sinnerite, |
|
a new mineral from the Lengenbach Quarry |
|
Locality: Grube Gabe Gottes near Sainte-Marie-aux-Mines, France |
|
_database_code_amcsd 0018614 |
|
11.356 3.754 5.453 90 90 90 Pnma |
|
atom x y z Biso |
|
Cu .1732 .25 .061 2.1 |
|
As .0146 .25 .352 1.4 |
|
S .1651 .75 .817 1.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cafarsite |
|
Edenharter A, Nowacki W, Weibel M |
| |
Schweizerische Mineralogische und Petrographische Mitteilungen 57 (1977) 1-16 |
|
Zur struktur und zusammensetzung von cafarsit, cafarsit ein As(III)-oxid, |
|
kein arsenat |
|
Locality: synthetic |
|
Note: Water positions were not determined |
|
_database_code_amcsd 0015405 |
|
15.984 15.984 15.984 90 90 90 *Pn3 |
|
.25 .25 .25 |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
As1 .3735 .3735 .3735 .85 .0021 .0021 .0021 .0001 .0001 .0001 |
|
As2 .2300 .9763 .0376 .90 .0022 .0019 .0020 0 0 .0001 |
|
As3 .3918 .6399 .3508 .68 .0015 .0010 .0012 0 .0003 .0001 |
|
Ca1 .1561 .1561 .1561 .98 .0039 .0039 .0039 .0017 .0017 .0017 |
|
Ca2 .0934 .6258 .3556 .66 .0005 .0008 .0006 -.0001 0 .0002 |
|
Ti .9511 .75 .25 .0015 .0019 .0019 0 0 .0003 |
|
Fe1 .25 .75 .75 .74 .0122 .0010 .0017 0 0 0 |
|
Fe2 -.0031 .25 .25 .62 .0015 .0018 .0016 0 0 0 |
|
Mn1 0 0 0 .80 .0019 .0019 .0019 .0001 .0001 .0001 |
|
Mn2 -.0031 .25 .25 .30 .0015 .0018 .0016 0 0 0 |
|
O1 -.0027 .9834 .1381 .97 .0025 .0019 .0025 .0016 0 -.0002 |
|
O2 .3059 .0032 .3631 .94 .0027 .0024 .0016 -.0001 -.0008 .0003 |
|
O3 .2915 .6332 .0465 .0029 .0017 .0024 -.0002 .0005 .0003 |
|
O4 .1657 .7367 .1467 .87 .0018 .0018 .0013 .0004 0 -.0002 |
|
O5 .1730 .5911 .2228 .0071 .0071 .0051 .0057 .0029 .0031 |
|
O6 .0329 .6621 .2239 .0023 .0027 .0025 -.0005 .0008 -.0007 |
|
O7 .1746 .4148 .2178 .0062 .0059 .0020 -.0029 -.0003 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Aktashite |
|
Nowacki W |
| |
Soviet Physics Crystallography 27 (1982) 26-27 |
|
Isotypy in aktashite Cu6Hg3As4S12 and nowackiite Cu6Zn3As4S12 |
|
Locality: not given |
|
_database_code_amcsd 0018891 |
|
13.730 13.730 9.329 90 90 120 R3 |
|
atom x y z Biso |
|
Cu1 .076 .2921 .0030 1.02 |
|
Cu2 .3915 .552 .0180 .98 |
|
Hg .310 .2263 .0081 1.93 |
|
As1 .5610 .178 .0000 .75 |
|
As2 0 0 .9808 .21 |
|
S1 .3729 .0899 .085 .45 |
|
S2 .4579 .428 .0660 .38 |
|
S3 .1186 .1561 .1079 .65 |
|
S4 .2036 .475 .0961 .54 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
