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Szenicsite |
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Burns P C |
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Mineralogical Magazine 62 (1998) 461-469 |
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The crystal structure of szenicsite, Cu3MoO4(OH)4 |
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_database_code_amcsd 0014535 |
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8.5201 12.545 6.0794 90 90 90 Pnnm |
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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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Cu1 .26870 .13257 -.2495 .0142 .0203 .0128 .0094 -.0015 .0003 .0003 |
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Cu2 0 0 .5 .0144 .0217 .0129 .0085 -.0031 0 0 |
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Cu3 0 0 0 .0151 .0229 .0149 .0076 -.0025 0 0 |
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Mo .12421 .36909 0 .0142 .0198 .0125 .0103 .0006 0 0 |
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O1 .2673 .2687 0 .0177 .0240 .0121 .0170 .0005 0 0 |
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O2 .0086 .3575 .2380 .0214 .0223 .0265 .0154 .0030 -.0010 .0002 |
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O3 .2223 .4925 0 .0195 .0251 .0184 .0151 -.0005 0 0 |
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O4 .2737 .0375 0 .0179 .0272 .0165 .0100 .0024 0 0 |
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O5 .0288 .1008 -.2509 .0159 .0220 .0113 .0146 .0024 -.0020 -.0006 |
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O6 .2583 .2256 .5 .0157 .0252 .0118 .0103 .0018 0 0 |
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H1 .34 .001 0 .02 |
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H2 -.025 .149 -.25 .02 |
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H3 .18 .230 .5 .02 |
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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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Szenicsite |
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Stolz J, Armbruster T |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1998 (1998) 278-288 |
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X-ray single-crystal structure refinement of szenicsite, Cu3MoO4(OH)4, |
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and its relation to the structure of antlerite, Cu3SO4(OH)4 |
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Locality: Jardinera No. 1, Inca de Oro, Atacama, Chile |
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_database_code_amcsd 0014897 |
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12.559 8.518 6.072 90 90 90 Pnnm |
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atom x y z Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 .36739 .23160 .24939 1.44 .0168 .0196 .0185 -.0012 .0006 .0003 |
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Cu2 .5 .5 .5 1.47 .0173 .0217 .0167 -.0027 0 0 |
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Cu3 .5 .5 0 1.52 .0177 .0230 .0170 -.0030 0 0 |
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Mo .13090 .37588 0 1.333 .0145 .0178 .0183 .0008 0 0 |
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O4 .2314 .2332 0 1.92 .018 .027 .027 .002 0 0 |
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O5 .1423 .4915 .2377 2.02 .031 .022 .024 .003 -.001 .000 |
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O6 .0077 .2775 0 2.05 .022 .027 .029 -.001 0 0 |
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O1 .4626 .2267 0 1.55 .018 .022 .019 .000 0 0 |
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H1 .506 .126 0 5.1 |
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O2 .2751 .2423 .5 1.65 .016 .027 .020 .004 0 0 |
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H2 .256 .347 .5 4.7 |
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O3 .3992 .4711 .2505 1.57 .017 .022 .020 .000 -.001 .000 |
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H3 .336 .533 .26 4.9 |
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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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