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Brochantite |
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Merlino S, Perchiazzi N, Franco D |
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European Journal of Mineralogy 15 (2003) 267-275 |
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Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures |
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Sample: MDO_1 polytype |
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Locality: Val Fucinaia, Tuscany, Italy |
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_database_code_amcsd 0006971 |
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13.140 9.863 6.024 90 103.16 90 P2_1/a |
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atom x y z Uiso |
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Cu1 .2061 .9911 .4799 .0207 |
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Cu2 .2023 .9908 -.0237 .0244 |
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Cu3 .1181 .2614 .1819 .0185 |
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Cu4 .1199 .2571 .6848 .0197 |
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S .3877 .1989 .3167 .0233 |
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OH1 .0936 .1325 .417 .022 |
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OH2 .0827 .1345 -.082 .022 |
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OH3 .1590 .3823 .454 .021 |
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OH4 .1556 .3826 -.052 .020 |
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OH5 .2559 .0936 .758 .022 |
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OH6 .1428 .8991 .198 .023 |
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O7 .2797 .145 .260 .027 |
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O8 .3822 .351 .312 .028 |
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O9 .4435 .149 .142 .029 |
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O10 .4415 .152 .547 .026 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Brochantite |
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Merlino S, Perchiazzi N, Franco D |
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European Journal of Mineralogy 15 (2003) 267-275 |
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Brochantite, Cu4SO4(OH)6: OD character, polytypism and crystal structures |
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Sample: MDO_2 polytype |
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Locality: Capo Calamita, Elba island, Tuscany, Italy |
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_database_code_amcsd 0006972 |
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12.776 9.869 6.026 90.15 90 90 P2_1/n |
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atom x y z Uiso |
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Cu1 .2066 .9902 .3770 .0118 |
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Cu2 .2019 .9906 -.1249 .0135 |
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Cu3 .1183 .2608 .1261 .0111 |
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Cu4 .1205 .2569 .6258 .0109 |
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S .3881 .1991 .1226 .015 |
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OH1 .091 .130 .374 .016 |
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OH2 .084 .136 -.125 .009 |
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OH3 .158 .381 .374 .014 |
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OH4 .158 .385 -.122 .012 |
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OH5 .258 .094 .628 .023 |
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OH6 .142 .897 .124 .019 |
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O7 .275 .141 .126 .023 |
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O8 .383 .352 .125 .016 |
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O9 .442 .147 -.084 .023 |
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O10 .443 .150 .329 .020 |
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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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Brochantite |
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Mills S J, Kampf A R, Pasero M, Merlino S |
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European Journal of Mineralogy 22 (2010) 453-457 |
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Discreditation of ''orthobrochantite'' (IMA 78-64) as the MDO1 polytype |
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of brochantite |
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Note: This is the MDO1 polytype of brochanite, that used to be called orthobrochantite |
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Locality: Douglas Hill mine, Yerington, Nevada, USA |
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_database_code_amcsd 0018378 |
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13.1117 9.8654 6.0307 90 103.255 90 P2_1/a |
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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 .38150 .74087 .3167 .0077 .0108 .0072 .0054 -.0021 .0027 .0001 |
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Cu2 .20272 .50997 .4761 .0095 .0117 .0091 .0075 -.0016 .0020 -.0007 |
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Cu3 .20549 .50995 -.0217 .0082 .0095 .0077 .0077 -.0011 .0026 .0002 |
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Cu4 .38001 .74252 .8146 .0085 .0123 .0081 .0054 -.0020 .0028 -.0010 |
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S1 .1128 .8028 .1819 .0150 .0172 .0099 .0181 -.0008 .0046 .0010 |
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O1 .4152 .8671 .5827 .0097 .012 .012 .006 .000 .004 .001 |
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O2 .3444 .6181 .5506 .0126 .012 .012 .012 -.006 -.001 -.004 |
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O3 .1368 .6048 .6938 .0194 .025 .035 .003 -.012 .011 -.005 |
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O4 .2587 .4011 .2561 .026 .020 .048 .012 -.018 .008 -.005 |
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O5 .3413 .6170 .0435 .0059 .007 .007 .005 .001 .004 .003 |
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O6 .4087 .8678 .0800 .0075 .012 .008 .004 -.002 .004 .001 |
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O7 .2228 .8594 .2394 .030 .020 .054 .016 .016 .002 .005 |
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O8 .5577 .6496 .3665 .029 .011 .016 .058 .001 .005 .008 |
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O9 .1185 .6500 .1867 .029 .035 .015 .032 -.010 .001 .001 |
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O10 .5583 .6507 .9457 .031 .009 .016 .062 .000 -.003 -.006 |
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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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Brochantite |
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Helliwell M, Smith J V |
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Acta Crystallographica C53 (1997) 1369-1371 |
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Brochantite |
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Locality: Socorro, New Mexico, USA |
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_database_code_amcsd 0010313 |
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13.0870 9.8350 6.015 90 103.330 90 P2_1/a |
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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 .29394 .49030 .5202 .0108 .0091 .0119 .0113 -.0020 .0021 .0003 |
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Cu2 .29794 .49040 .0240 .0125 .0127 .0115 .0133 -.0013 .0031 -.0016 |
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Cu3 .11808 .26070 .1818 .0100 .0109 .0101 .0094 -.0015 .0030 -.0011 |
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Cu4 .12008 .25650 .6848 .0109 .0124 .0107 .0097 -.0019 .0024 -.0002 |
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S .3875 .1979 .3165 .0104 .0100 .0080 .0130 .0016 .0015 -.0012 |
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O1 .0937 .1313 .4180 .008 .003 .008 .013 .001 .004 .003 |
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O2 .0821 .1335 .9180 .012 .011 .013 .009 -.001 -.001 -.001 |
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O3 .1608 .3809 .4600 .0100 |
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O4 .1551 .3822 .9480 .011 .011 .012 .010 -.001 .002 -.001 |
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O5 .2451 .5945 .2450 .0110 |
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O6 .3583 .4006 .8030 .0120 |
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O7 .2787 .1451 .2610 .014 .009 .020 .014 -.002 .005 -.002 |
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O8 .3828 .3487 .3120 .0130 |
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O9 .4431 .1493 .1420 .014 .012 .019 .014 -.002 .007 -.005 |
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O10 .4418 .1519 .5450 .016 .019 .020 .008 .001 -.001 .004 |
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H1 .0299 .1224 .3510 .009 |
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H2 .0032 .1668 .8464 .013 |
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H3 .1065 .4379 .3980 .011 |
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H4 .1005 .4526 .9185 .013 |
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H5 .1806 .6052 .1661 .012 |
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H6 .3494 .3160 .7781 .013 |
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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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