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Semseyite |
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Kohatsu J J, Wuensch B J |
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American Mineralogist 59 (1974) 1127-1127 |
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Semseyite (Pb9Sb8S21) and the crystal chemistry of the plagionite group, |
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Pb3+2nSb8S15+2n |
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Note: structure from ICSD |
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_database_code_amcsd 0000427 |
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13.603 11.936 24.453 90 106.047 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 .9557 .25 .00292 .00121 .00081 0 -.0002 0 |
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Pb2 .2276 .0143 .3068 .00185 .00110 .00060 .00027 .00020 -.00007 |
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Pb3 .2683 .2275 .0927 .00184 .00106 .00064 -.00015 .00033 .00000 |
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Pb4 .0226 .1151 .1426 .00189 .00105 .00074 .00010 .00038 .00014 |
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Pb5 .2498 .0527 .4821 .00252 .00227 .00070 .00022 .00036 -.00006 |
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Sb1 .5067 .3328 .4740 .00170 .00030 .00063 .00018 .00033 -.00001 |
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Sb2 .4841 .9420 .4245 .00143 .00028 .00069 -.00010 .00038 .00003 |
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Sb3 .2232 .3230 .3793 .00176 .00021 .00052 .00022 .00037 .00029 |
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Sb4 .4522 .2586 .3160 .00170 .00163 .00057 .00011 .00041 -.00018 |
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S1 0 .8955 .25 1.49 |
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S2 .3212 .4036 .3174 1.24 |
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S3 .1106 .4969 .3698 .95 |
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S4 .3675 .1145 .4013 1.12 |
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S5 .3810 .5515 .4524 1.13 |
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S6 .3714 .4421 .1020 1.34 |
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S7 .1235 .3383 .1524 1.28 |
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S8 .1112 .2221 .3033 1.16 |
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S9 .3571 .1335 .2440 1.50 |
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S10 .0958 .2129 .4557 1.35 |
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S11 .3662 .1734 .0017 1.16 |
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Hammarite |
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Horiuchi H, Wuensch B J |
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The Canadian Mineralogist 14 (1976) 536-539 |
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The ordering scheme for metal atoms in the crystal structure |
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of hammarite, Cu2Pb2Bi4S9 |
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_database_code_amcsd 0005129 |
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33.7726 11.5857 4.01 90 90 90 Pbnm |
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atom x y z Biso |
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Bi1 .0633 .0194 .25 2.1 |
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Bi2 .3935 .0234 .25 1.5 |
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Bi3 .7241 .0182 .25 1.8 |
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Bi4 .3202 .3465 .25 2.1 |
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Pb1 .6662 .3226 .25 1.7 |
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Pb2 .9970 .3307 .25 2.6 |
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Cu1 .5662 .239 .25 .9 |
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Cu2 .9027 .235 .25 .5 |
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S1 .213 .047 .25 1.3 |
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S2 .546 .044 .25 1.3 |
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S3 .876 .050 .25 1.3 |
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S4 .189 .368 .25 1.3 |
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S5 .519 .372 .25 1.3 |
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S6 .846 .366 .25 1.3 |
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S7 .100 .228 .25 1.3 |
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S8 .440 .225 .25 1.3 |
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S9 .764 .220 .25 1.3 |
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Lindstromite |
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Horiuchi H, Wuensch B J |
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The Canadian Mineralogist 15 (1977) 527-535 |
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Lindstromite, Cu3Pb3Bi7S15: Its space group and ordering scheme |
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for metal atoms in the crystal structure |
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_database_code_amcsd 0005146 |
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56.115 11.5695 4.001 90 90 90 Pbnm |
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atom x y z Biso |
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Bi1 .0383 .0185 .25 2.3 |
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Bi2 .2376 .0202 .25 2.4 |
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Bi3 .4355 .0222 .25 2.8 |
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Bi4 .6350 .0174 .25 2.1 |
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Bi5 .8334 .0150 .25 2.5 |
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Bi6 .1925 .3469 .25 2.8 |
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Bi7 .3916 .3456 .25 2.0 |
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Pb1 .6008 .3266 .25 1.9 |
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Pb2 .7992 .3248 .25 2.4 |
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Pb3 .9983 .3317 .25 2.6 |
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Cu1 .5419 .228 .25 2.6 |
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Cu2 .7419 .228 .25 3.8 |
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Cu3 .9413 .225 .25 1.2 |
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S1 .1291 .044 .25 1.3 |
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S2 .3271 .051 .25 .5 |
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S3 .5272 .048 .25 1.5 |
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S4 .7279 .055 .25 4.0 |
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S5 .9241 .052 .25 .0 |
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S6 .0587 .211 .25 2.5 |
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S7 .2631 .215 .25 1.3 |
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S8 .4599 .211 .25 1.9 |
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S9 .6608 .212 .25 3.2 |
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S10 .8620 .213 .25 2.1 |
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S11 .1083 .389 .25 2.4 |
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S12 .3106 .369 .25 2.9 |
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S13 .5105 .389 .25 3.5 |
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S14 .7117 .368 .25 3.2 |
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S15 .9115 .368 .25 1.5 |
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Aikinite |
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Kohatsu I, Wuensch B J |
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Acta Crystallographica B27 (1971) 1245-1252 |
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The crystal structure of aikinite, PbCuBiS3 |
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Note: B(3,3) altered for Pb and Cu, in order to reproduce Biso |
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_database_code_amcsd 0009395 |
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11.608 4.0279 11.275 90 90 90 Pnma |
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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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Pb .3332 .25 .4880 2.70 .0120 .0034 .00284 0 -.0087 0 |
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Cu .2320 .25 .2081 2.69 .0032 .0478 .0064 0 -.0001 0 |
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Bi .0185 .25 .6812 1.43 .0016 .0182 .0044 0 .0002 0 |
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S1 .0454 .25 .1373 1.52 .0026 .0255 .0029 0 .0009 0 |
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S2 .3795 .25 .0553 1.30 .0013 .0096 .0051 0 .0007 0 |
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S3 .2146 .25 .8036 .84 .0027 .0083 .0011 0 .0002 0 |
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Getchellite |
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Guillermo T R, Wuensch B J |
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Acta Crystallographica B29 (1973) 2536-2541 |
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The crystal structure of getchellite, AsSbS3 |
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_database_code_amcsd 0009491 |
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11.8568 9.0152 10.1938 90 116.365 90 P2_1/a |
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atom x y z occ Biso |
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As1 .1224 .3581 .1748 .486 2.93 |
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Sb1 .1224 .3581 .1748 .514 2.93 |
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As2 .2306 .7263 .1429 .754 3.26 |
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Sb2 .2306 .7263 .1429 .246 3.26 |
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As3 .4849 .4389 .3173 .413 3.19 |
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Sb3 .4849 .4389 .3173 .587 3.19 |
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As4 .8246 .5225 .4593 .347 3.23 |
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Sb4 .8246 .5225 .4593 .653 3.23 |
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S1 .0710 .6147 .1805 2.54 |
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S2 .2830 .3496 .4269 2.53 |
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S3 .3861 .7556 .3749 3.05 |
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S4 .3179 .5191 .0913 3.12 |
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S5 .4506 .1855 .2386 2.75 |
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S6 .6399 .4928 .2319 2.56 |
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Gladite |
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Kohatsu I, Wuensch B J |
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Acta Crystallographica B32 (1976) 2401-2409 |
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The crystal structure of gladite, PbCuBi5S9, a superstructure intermediate in |
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the series Bi2S3-PbCuBiS3 (bismuthinite-aikinite) |
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_database_code_amcsd 0009571 |
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33.531 11.486 4.003 90 90 90 Pbnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb .3349 .3174 .25 .00020 .0028 .02 -.00022 0 0 |
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Cu .2390 .2200 .25 .00012 .0005 .006 .00002 0 0 |
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Bi1 .0565 .0209 .25 .00025 .0020 .011 .0001 0 0 |
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Bi2 .3924 .0056 .25 .00030 .0027 .016 .00007 0 0 |
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Bi3 .7294 .0283 .25 .00045 .0016 .01 -.00005 0 0 |
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Bi4 .6550 .3542 .25 .00034 .0033 .019 .00018 0 0 |
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Bi5 .9866 .3430 .25 .00019 .0025 .019 .00002 0 0 |
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S1 .2095 .0354 .25 .00019 .0014 .01 -.00011 0 0 |
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S2 .5415 .0552 .25 .00041 .0031 .03 -.00008 0 0 |
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S3 .8804 .0565 .25 .00022 .0027 .02 .00007 0 0 |
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S4 .1855 .3786 .25 .00008 .0011 .011 .00004 0 0 |
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S5 .5172 .3760 .25 .00026 .0028 .022 .00004 0 0 |
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S6 .8511 .3917 .25 .00046 .0035 .02 -.00016 0 0 |
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S7 .1006 .2158 .25 .00001 .0005 .001 -.00004 0 0 |
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S8 .4344 .2038 .25 .00039 .0034 .039 -.00006 0 0 |
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S9 .7669 .2290 .25 .00045 .0037 .028 .00006 0 0 |
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Marrite |
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Wuensch B J, Nowacki W |
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Zeitschrift fur Kristallographie 125 (1967) 459-488 |
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The crystal structure of marrite, PbAgAsS3 |
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Locality: Lengenbach quarry, Binnatal, Switzerland |
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_database_code_amcsd 0010652 |
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7.2705 12.6319 5.9853 90 91.228 90 P2_1/a |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Pb .3383 .4111 .2521 .0032 .0022 .0095 .0000 .0016 .0004 |
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Ag .3882 .7633 .1851 .0131 .0041 .0153 -.0035 .0039 .0006 |
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As .3557 .0906 .2786 .0084 .0006 .0047 -.0005 .0016 .0007 |
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S1 .1460 .2145 .3817 .0079 .0010 .0108 -.0006 .0036 -.0011 |
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S2 .1528 .6230 .0926 .0027 .0025 .0079 .0001 .0021 -.0017 |
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S3 .1658 .9481 .2870 .0138 .0009 .0061 -.0003 .0034 .0000 |
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Nuffieldite |
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Kohatsu I, Wuensch B J |
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Zeitschrift fur Kristallographie 138 (1973) 343-365 |
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The crystal structure of nuffieldite, Pb2Cu(Pb,Bi)Bi2S7 |
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Locality: Alice Arm, British Columbia, Canada |
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_database_code_amcsd 0017790 |
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14.387 21.011 4.046 90 90 90 Pbmn |
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atom x y z occ Biso |
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PbM1 .1599 .1929 .25 .5 .9 |
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BiM1 .1599 .1929 .25 .5 .9 |
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PbM2 .3936 .3347 .25 .88 |
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PbM3 .6319 .0211 .25 2.04 |
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BiM4 .6075 .4724 .25 1.14 |
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BiM5 .9579 .3431 .25 .99 |
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Cu .6691 .1722 .25 .9 |
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S1 .5417 .2399 .25 3.6 |
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S2 .0169 .1117 .25 1.4 |
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S3 .4718 .0676 .25 .01 |
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S4 .8026 .2276 .25 .2 |
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S5 .1438 .3724 .25 .9 |
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S6 .7417 .3883 .25 2.5 |
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S7 .3190 .4687 .25 .5 |
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|
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Plagionite |
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Cho S A, Wuensch B J |
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Zeitschrift fur Kristallographie 139 (1974) 351-378 |
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The crystal structure of plagionite, Pb5Sb8S17, |
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the second member in the homologous series Pb3+2nSb8S15+2n |
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Locality: Wolfsberg, Harz, Germany |
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_database_code_amcsd 0010763 |
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13.4857 11.8656 19.9834 90 107.168 90 C2/c |
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atom x y z Biso |
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Pb1 .5 .6801 .75 2.68 |
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Pb2 -.2310 .6259 .6780 2.18 |
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Pb3 .2634 .4138 .5516 2.67 |
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Sb1 .0018 .5184 .6053 2.54 |
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Sb2 .4906 .3047 .4715 1.77 |
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Sb3 .7290 .1904 .4143 1.83 |
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Sb4 .9539 .1250 .3329 1.80 |
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S1 0 .7431 .75 2.4 |
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S2 -.8188 .7338 .6709 2.1 |
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S3 -.6113 .6387 .6017 1.5 |
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S4 -.3699 .5258 .5583 1.9 |
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S5 -.1087 .4160 .4991 1.7 |
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S6 .1314 .3104 .4367 1.6 |
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S7 .3812 .1926 .3759 2.2 |
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S8 .6135 .0766 .3210 1.7 |
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S9 .8532 -.0046 .2438 2.0 |
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|
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