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Wallisite |
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Takeuchi Y, Ohmasa M |
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Zeitschrift fur Kristallographie 127 (1968) 349-365 |
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The crystal structure of wallisite, PbTlCuAs2S5, |
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the Cu analogue of hatchite PbTlAgAs2S5 |
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Locality: Lengenbach quarry, Binnatal, Switzerland |
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_database_code_amcsd 0010669 |
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9.215 8.524 7.980 55.983 62.500 69.400 P-1 |
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atom x y z occ Biso |
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Pb1 .4034 .7518 .3053 .5 2.61 |
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Tl1 .4034 .7518 .3053 .5 2.61 |
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Pb2 .1248 .3088 .4189 .5 4.15 |
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Tl2 .1248 .3088 .4189 .5 4.15 |
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Cu .0846 .1168 .0508 3.35 |
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As1 .1910 .5436 .8876 2.25 |
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As2 .3632 .9058 .7645 2.34 |
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S1 .4538 .6253 .7363 1.68 |
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S2 .2406 .3672 .7337 2.09 |
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S3 .4206 .1260 .1485 2.26 |
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S4 .0745 .8267 .6736 2.05 |
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S5 .1686 .8057 .0965 1.70 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Wallisite |
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Boiocchi M, Callegari A |
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Neues Jahrbuch fur Mineralogie, Monatshefte 2003 (2003) 396-406 |
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Crystal structure refinement of a wallisite-hatchite solid solution |
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Locality: Binnatal, Switzerland |
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_database_code_amcsd 0018394 |
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9.0707 7.7868 8.0386 65.828 65.047 74.220 P-1 |
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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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Pb1 .5954 .2473 .4618 .0227 .0286 .0179 .0203 -.0067 -.0080 -.0034 |
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Tl1 .1275 .3069 .1450 .0426 .0411 .0590 .0329 -.0115 -.0161 -.0137 |
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Ag1 .0863 .1142 .7580 .35 .0403 .0499 .0257 .0491 -.0076 -.0342 .0032 |
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Cu1 .0863 .1142 .7580 .65 .0403 .0499 .0257 .0491 -.0076 -.0342 .0032 |
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As1 .1906 .5446 .3801 .0190 .0228 .0177 .0185 -.0067 -.0088 -.0039 |
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As2 .3638 .9008 .9628 .0197 .0248 .0174 .0173 -.0051 -.0087 -.0034 |
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S1 .5493 .3703 .8208 .0228 .0231 .0225 .0167 -.0047 -.0064 -.0003 |
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S2 .2418 .3693 .6564 .0243 .0278 .0275 .0165 -.0079 -.0089 -.0025 |
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S3 .4152 .1292 .2995 .0205 .0241 .0181 .0171 -.0066 -.0072 -.0013 |
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S4 .0818 .8219 .4280 .0271 .0263 .0219 .0300 -.0049 -.0046 -.0101 |
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S5 .1754 .8013 .9214 .0285 .0238 .0388 .0253 -.0111 -.0066 -.0107 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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