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Muckeite |
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Bente K, Doering T, Edenharter A, Kupcik V, Steins M, Wendschuh-Josties M |
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Acta Crystallographica C46 (1990) 127-128 |
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Structure of the new mineral muckeite, BiCuNiS3 |
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_database_code_amcsd 0010090 |
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7.514 12.557 4.8880 90 90 90 P2_12_12_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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Sb .37685 .13292 .93528 .1 1.8 .00882 .00266 .01825 .00017 .00008 -.00016 |
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Bi .37685 .13292 .93528 .9 1.8 .00882 .00266 .01825 .00017 .00008 -.00016 |
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CuM1 .38250 .43787 .97540 .5 2.3 .01014 .00329 .02693 .00035 -.00031 .00032 |
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NiM1 .38250 .43787 .97540 .5 2.3 .01014 .00329 .02693 .00035 -.00031 .00032 |
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CuM2 .12824 .25020 .50418 .5 1.6 .00767 .00232 .01695 -.00028 .00092 .00007 |
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NiM2 .12824 .25020 .50418 .5 1.6 .00767 .00232 .01695 -.00028 .00092 .00007 |
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S1 .1289 .40728 .7166 1.9 .00917 .00241 .0217 -.00035 -.0043 -.00011 |
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S2 .37848 .29743 .2816 1.8 .00731 .00298 .0202 -.00027 .0003 .00036 |
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S3 .1262 .09262 .2901 1.9 .00903 .00229 .0220 -.00026 .0050 -.00049 |
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Bournonite |
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Edenharter A, Nowacki W, Takeuchi Y |
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Zeitschrift fur Kristallographie 131 (1970) 397-417 |
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Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] |
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und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] |
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Locality: Kanton Graubunden |
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_database_code_amcsd 0010713 |
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8.153 8.692 7.793 90 90 90 Pn2_1m |
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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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Pbl .07380 .99050 0 .00621 .00552 .00595 .00010 0 0 |
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Pb2 .55709 .17696 .5 .00670 .00489 .00553 .00016 0 0 |
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Sbl .07050 .04091 .5 .00671 .00346 .00549 -.00043 0 0 |
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Sb2 .50655 .14958 0 .00732 .00611 .00621 .00007 0 0 |
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Cu .27597 .42275 .24384 .00816 .00680 .00623 .00018 -.00057 -.00105 |
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S1 .23995 .27917 0 .00768 .00369 .00568 .00082 0 0 |
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S2 .23187 .28860 .5 .00598 .00337 .00534 .00017 0 0 |
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S3 .10572 .63870 .23753 .00501 .00617 .00491 .00071 .00036 .00135 |
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S4 .56333 .48165 .26830 .00717 .00594 .00527 -.00035 .00010 .00025 |
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Seligmannite |
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Edenharter A, Nowacki W, Takeuchi Y |
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Zeitschrift fur Kristallographie 131 (1970) 397-417 |
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Verfeinerung der kristallstruktur von bournonit [SbS3)2|Cu(IV)2PB(VII)Pb(VIII)] |
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und von seligmannit [(AsS3)2)|Cu(IV)2Pb(VII)PB(VIII)] |
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Locality: Lengenbach, Binnatal, Switzerland |
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_database_code_amcsd 0010715 |
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8.076 8.737 7.634 90 90 90 Pn2_1m |
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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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Pbl .07903 .00610 0 .00406 .00488 .00684 -.00019 0 0 |
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Pb2 .55368 .19272 .5 .00465 .00469 .00543 .00016 0 0 |
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Asl .06319 .07360 .5 .00353 .00347 .00508 -.00056 0 0 |
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As2 .49593 .15737 0 .00324 .00428 .00496 -.00030 0 0 |
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Cu .27430 .42756 .24108 .00711 .00612 .00746 .00035 -.00063 -.00098 |
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S1 .24854 .27905 0 .00492 .00451 .00546 -.00001 0 0 |
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S2 .22196 .29237 .5 .00362 .00374 .00559 -.00039 0 0 |
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S3 .10420 .64340 .22935 .00493 .00485 .00627 .00119 .00020 .00025 |
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S4 .55870 .49398 .27527 .00544 .00489 .00529 -.00029 -.00062 -.00009 |
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Samsonite |
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Edenharter A, Nowacki W |
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Zeitschrift fur Kristallographie 140 (1974) 87-99 |
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Verfeinerung der kristallstruktur von samsonit (SbS3)2Ag2Ag2Mn |
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Locality: Andreasberg, Harz, Germany |
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_database_code_amcsd 0010764 |
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10.362 8.101 6.647 90 92.63 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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Mn 0 0 .5 .0034 .0054 .0122 .0003 .00095 .00045 |
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Sb .18420 .16426 .03853 .0025 .0036 .0105 .0006 .0005 .0002 |
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Ag1 .30762 .2455 .5724 .0052 .0191 .0170 -.00445 .0023 -.00205 |
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Ag2 .4966 .9691 .7606 .0196 .0087 .0229 -.0083 .0020 -.00385 |
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S1 .0919 .2689 .3432 .0035 .0039 .0110 .0001 .0006 .0005 |
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S2 .9823 .1737 .8311 .0027 .0051 .0100 .0001 .0003 -.00055 |
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S3 .7643 .0793 .3882 .0023 .0045 .0153 .0007 .0003 -.0012 |
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Heteromorphite |
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Edenharter A |
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Zeitschrift fur Kristallographie 151 (1980) 193-202 |
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Die kristallstruktur von heteromorphit, Pb7Sb8S19 |
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_database_code_amcsd 0010822 |
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13.628 11.943 21.285 90 90.92 90 C2/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb1 .5 .0030 .25 .0046 .0043 .0013 0 .0032 0 |
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Pb2 .3504 .2786 .4262 .0042 .0046 .0029 .0005 .0019 -.0010 |
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Pb3 .0808 .1740 .3705 .0041 .0044 .0022 -.0002 .0016 .0003 |
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Pb4 .1964 .0698 .1874 .0033 .0036 .0010 .0006 .0022 .0000 |
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Sbl .3756 .3953 .0078 .0021 .0021 .0008 .0000 .0019 .0003 |
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Sb2 .3916 -.0084 .0552 .0028 .0040 .0010 -.0008 .0023 .0004 |
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Sb3 .1533 .3825 .1044 .0026 .0031 .0006 .0005 .0019 -.0002 |
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Sb4 .4153 .3118 .1778 .0024 .0029 .0006 -.0001 .0015 -.0005 |
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S1 .5 .4512 .25 1.62 |
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S2 .1781 .3890 .3592 1.65 |
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S3 .0814 .2720 .1899 2.13 |
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S4 .2277 .1071 .4751 1.30 |
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S5 .2870 .4560 .1777 1.16 |
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S6 .2824 .1664 .0816 1.96 |
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S7 .3510 .1870 .2533 2.05 |
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S8 .0422 -.0008 .0844 1.80 |
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S9 .0102 .2757 .4740 1.98 |
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S10 .4532 .0437 .3783 2.08 |
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Berthierite |
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Bente K, Edenharter A |
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Zeitschrift fur Kristallographie 185 (1989) 31-33 |
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Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung |
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von berthierit, FeSb2S4 |
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_database_code_amcsd 0010987 |
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11.423 14.174 3.765 90 90 90 Pnam |
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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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Fe .3171 .3352 .25 .0023 .00141 .0231 .0001 0 0 |
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Sb1 .1447 .0629 .25 .0032 .00178 .0237 -.0001 0 0 |
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Sb2 .0388 .3856 .75 .0024 .00167 .0231 -.0001 0 0 |
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S1 .1955 .2703 .75 .0022 .00163 .0187 .0001 0 0 |
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S2 .4216 .1841 .25 .0025 .00189 .0162 .0001 0 0 |
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S3 .2235 .4944 .25 .0019 .00168 .0214 .0000 0 0 |
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S4 .4503 .4043 .75 .0023 .00129 .0215 -.0001 0 0 |
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Clerite |
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Bente K, Edenharter A |
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Zeitschrift fur Kristallographie 185 (1989) 31-33 |
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Rontgenographische strukturanalyse von MnSb2S4 und strukturverfeinerung |
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von berthierit, FeSb2S4 |
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_database_code_amcsd 0010988 |
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11.459 14.351 3.823 90 90 90 Pnam |
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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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Mn .3160 .3330 .25 .0024 .0014 .0218 .0001 0 0 |
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Sb1 .1439 .0590 .25 .0031 .0016 .0233 .0001 0 0 |
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Sb2 .0411 .3859 .75 .0024 .0016 .0180 .00002 0 0 |
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S1 .1900 .2666 .75 .0021 .0015 .0247 .0002 0 0 |
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S2 .4217 .1777 .25 .0022 .0018 .0169 .0002 0 0 |
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S3 .2227 .4945 .25 .0021 .0013 .0163 .0001 0 0 |
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S4 .4548 .4048 .75 .0015 .0013 .0173 .0001 0 0 |
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Tennantite |
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Edenharter A, Koto K, Nowacki W |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1971 (1971) 337-341 |
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Uber pearceit, polybasit und binnit |
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_database_code_amcsd 0014744 |
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10.232 10.232 10.232 90 90 90 I-43m |
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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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Cu1 .25 .5 0 .0035 .0015 .0015 0 0 0 |
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Cu2 .2159 0 0 .0029 .0107 .0107 0 0 -.0094 |
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As .2610 .2610 .2610 .85 .0020 .0020 .0020 -.0002 -.0002 -.0002 |
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Sb .2610 .2610 .2610 .15 .0020 .0020 .0020 -.0002 -.0002 -.0002 |
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S .1199 .1199 .3558 .0033 .0033 .0005 -.0008 -.0001 -.0001 |
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Fuloppite |
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Edenharter A, Nowacki W |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1974 (1974) 92-94 |
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Die kristallstruktur von fuloppit Pb3Sb8S15 |
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Locality: Baia Mare, Romania |
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_database_code_amcsd 0014749 |
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13.435 11.727 16.9340 90 94.7 90 C2/c |
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atom x y z Biso |
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Pb1 0 .3714 .25 2.29 |
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Pb2 .3074 .4289 .3326 2.21 |
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Sb1 .4086 .1797 .1561 1.22 |
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Sb2 .3726 .1363 .4947 1.30 |
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Sb3 .1402 .2513 .0605 1.12 |
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Sb4 .0889 .0496 .4161 1.69 |
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S1 .2664 .0278 .0359 1.05 |
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S2 .3569 .0493 .2548 1.47 |
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S3 .2719 .3208 .1598 1.33 |
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S4 .0302 .4172 .0829 .85 |
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S5 .1853 .2458 .3970 1.59 |
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S6 .4664 .3650 .4616 1.15 |
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S7 .0705 .1328 .1642 1.17 |
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S8 0 .8167 .25 1.42 |
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Heteromorphite |
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Edenharter A, Nowacki W |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1975 (1975) 193-195 |
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Die kristallstruktur von heteromorphit Pb7Sb8S19 |
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_database_code_amcsd 0014753 |
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13.628 11.943 21.285 90 90.92 90 C2/c |
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atom x y z |
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Pb1 .5 .0044 .25 |
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Pb2 .3501 .2787 .4250 |
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Pb3 .0807 .1737 .3640 |
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Pb4 .1971 .0695 .1878 |
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Sb1 .3756 .3948 .0083 |
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Sb2 .3904 -.0079 .0546 |
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Sb3 .1529 .3831 .1039 |
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Sb4 .4146 .3120 .1769 |
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S1 .5 .4466 .25 |
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S2 .1772 .3896 .3575 |
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S3 .0830 .2764 .1893 |
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S4 .2260 .1097 .4743 |
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S5 .2859 .4584 .1764 |
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S6 .2793 .1668 .0786 |
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S7 .3550 .1851 .2550 |
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S8 .0426 -.0018 .0852 |
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S9 .0090 .2772 .4753 |
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S10 .4552 .0522 .3820 |
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Cafarsite |
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Edenharter A, Nowacki W, Weibel M |
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Schweizerische Mineralogische und Petrographische Mitteilungen 57 (1977) 1-16 |
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Zur struktur und zusammensetzung von cafarsit, cafarsit ein As(III)-oxid, |
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kein arsenat |
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Locality: synthetic |
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Note: Water positions were not determined |
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_database_code_amcsd 0015405 |
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15.984 15.984 15.984 90 90 90 *Pn3 |
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.25 .25 .25 |
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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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As1 .3735 .3735 .3735 .85 .0021 .0021 .0021 .0001 .0001 .0001 |
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As2 .2300 .9763 .0376 .90 .0022 .0019 .0020 0 0 .0001 |
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As3 .3918 .6399 .3508 .68 .0015 .0010 .0012 0 .0003 .0001 |
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Ca1 .1561 .1561 .1561 .98 .0039 .0039 .0039 .0017 .0017 .0017 |
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Ca2 .0934 .6258 .3556 .66 .0005 .0008 .0006 -.0001 0 .0002 |
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Ti .9511 .75 .25 .0015 .0019 .0019 0 0 .0003 |
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Fe1 .25 .75 .75 .74 .0122 .0010 .0017 0 0 0 |
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Fe2 -.0031 .25 .25 .62 .0015 .0018 .0016 0 0 0 |
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Mn1 0 0 0 .80 .0019 .0019 .0019 .0001 .0001 .0001 |
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Mn2 -.0031 .25 .25 .30 .0015 .0018 .0016 0 0 0 |
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O1 -.0027 .9834 .1381 .97 .0025 .0019 .0025 .0016 0 -.0002 |
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O2 .3059 .0032 .3631 .94 .0027 .0024 .0016 -.0001 -.0008 .0003 |
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O3 .2915 .6332 .0465 .0029 .0017 .0024 -.0002 .0005 .0003 |
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O4 .1657 .7367 .1467 .87 .0018 .0018 .0013 .0004 0 -.0002 |
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O5 .1730 .5911 .2228 .0071 .0071 .0051 .0057 .0029 .0031 |
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O6 .0329 .6621 .2239 .0023 .0027 .0025 -.0005 .0008 -.0007 |
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O7 .1746 .4148 .2178 .0062 .0059 .0020 -.0029 -.0003 -.0002 |
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Erniggliite |
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Graeser S, Schwander H, Wulf R, Edenharter A |
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Schweizerische Mineralogische und Petrographische Mitteilungen 72 (1992) 293-305 |
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Erniggliite (Tl2SnAs2S6), a new mineral from Lengenbach, Binntal (Switzerland): |
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description and crystal structure determination based on data from synchrotron radiation |
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Locality: Lengenbach, Binntal, Switzerland |
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_database_code_amcsd 0015406 |
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6.680 6.680 7.164 90 90 120 P-3 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sn 0 0 0 .0103 .0077 .0077 .0156 .0039 0 0 |
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Tl 1/3 2/3 .3823 .0377 .0461 .0461 .0208 .0231 0 0 |
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As 1/3 2/3 .9266 .0161 .0163 .0163 .0157 .0081 0 0 |
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S .2051 .3346 .7684 .0196 .0269 .0102 .0180 .0065 .0056 .0015 |
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|
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Stalderite |
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Graeser S, Schwander H, Wulf R, Edenharter A |
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Schweizerische Mineralogische und Petrographische Mitteilungen 75 (1995) 337-345 |
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Stalderite TlCu(Zn,Fe,Hg)2As2S6 - a new mineral related to routhierite: |
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description and crystal structure determination |
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Locality: Lengenbach, Binntal, Ct. Valais, Switzerland |
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_database_code_amcsd 0015409 |
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9.865 9.865 10.938 90 90 90 I-42m |
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atom x y z occ Uiso |
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Tl 0 0 .3501 .0453 |
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Cu 0 .5 .25 .0096 |
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Zn .2253 .5 .5 .58 .0183 |
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Fe .2253 .5 .5 .23 .0183 |
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Hg .2253 .5 .5 .19 .0183 |
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As .2628 .2628 .2495 .0177 |
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S1 .1010 .3385 .3801 .0148 |
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S2 .1265 .1265 .1330 .0143 |
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