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Famatinite |
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Pfitzner A, Bernert T |
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Zeitschrift fur Kristallographie 219 (2004) 20-26 |
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The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures |
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Locality: synthetic |
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Sample: Cu3As0.3Sb0.7S4 |
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_database_code_amcsd 0011106 |
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5.353 5.353 10.652 90 90 90 I-42m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb 0 0 0 .736 .0119 .0119 .0119 .0120 0 0 0 |
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As 0 0 0 .264 .0119 .0119 .0119 .0120 0 0 0 |
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Cu1 .5 0 .25 .0233 .0224 .0224 .0251 0 0 0 |
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Cu2 .5 .5 0 .0230 .0228 .0228 .0233 0 0 0 |
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S .2501 .2501 .1273 .0161 .0156 .0156 .0173 .0004 .0008 .0008 |
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Enargite |
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Pfitzner A, Bernert T |
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Zeitschrift fur Kristallographie 219 (2004) 20-26 |
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The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures |
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Locality: synthetic |
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Sample: Cu3As0.7Sb0.3S4 |
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_database_code_amcsd 0011107 |
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5.315 5.315 10.536 90 90 90 I-42m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb 0 0 0 .330 .0096 .0090 .0090 .0000 0 0 0 |
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As 0 0 0 .670 .0096 .0090 .0090 .0000 0 0 0 |
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Cu1 .5 0 .25 .0211 .0202 .0202 .0000 0 0 0 |
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Cu2 .5 .5 0 .0210 .0205 .0205 .0000 0 0 0 |
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S .2439 .2439 .1250 .0143 .0137 .0137 .0154 .0005 .0004 .0004 |
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Enargite |
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Pfitzner A, Bernert T |
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Zeitschrift fur Kristallographie 219 (2004) 20-26 |
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The system Cu3AsS4 - Cu3SbS4 and investigations on normal tetrahedral structures |
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Locality: synthetic |
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Sample: Cu3AsS4 |
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_database_code_amcsd 0011108 |
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7.399 6.428 6.145 90 90 90 Pmn2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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As 0 .1726 .0014 .0103 .0078 .0095 0 0 -.0001 |
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Cu1 0 .8467 .5016 .0222 .0195 .0187 0 0 .0025 |
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Cu2 .7523 .6745 .0097 .0213 .0183 .0197 .0013 -.0008 .0011 |
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S1 0 .1777 .3589 .0130 .0127 .0070 0 0 .0010 |
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S2 0 .8517 .8763 .0134 .0083 .0133 0 0 -.0001 |
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S3 .7436 .6648 .3811 .0110 .0105 .0145 .0017 .0008 -.0004 |
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Stephanite |
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Leitl M, Pfitzner A, Bindi L |
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Mineralogical Magazine 73 (2009) 17-26 |
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Preferred ion diffusion pathways and activation energies for Ag in the |
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crystal structure of stephanite, Ag5SbS4 |
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Locality: Freiberg District, Saxony, Germany |
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Note: y-coordinate of Sb altered by Bindi, June 2009 |
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_database_code_amcsd 0014585 |
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7.8329 12.458 8.5272 90 90 90 Cmc2_1 |
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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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Sb 0 .83095 .5143 .0305 .0323 .0323 .0268 0 0 .0009 |
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Ag1 .1856 .12312 .6010 .0508 .0559 .0576 .0389 -.0102 -.0004 -.0109 |
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Ag2 .3139 .0648 .2849 .0676 .0670 .0750 .0609 .0197 .0101 -.0239 |
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Ag3 .5 .8549 .4456 .0587 .0512 .0577 .067 0 0 -.0184 |
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S1 .5 .0276 .5917 .0335 .033 .038 .030 0 0 .005 |
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S2 0 .0142 .4096 .0305 .031 .030 .031 0 0 .001 |
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S3 .7706 .7670 .3464 .0326 .0324 .031 .034 -.0050 -.0029 .0020 |
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| Download AMC data (View Text File)
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