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Clinoatacamite |
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Grice J D, Szymanski J T, Jambor J L |
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The Canadian Mineralogist 34 (1996) 73-78 |
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The crystal structure of clinoatacamite, a new polymorph of Cu2(OH)3Cl |
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_database_code_amcsd 0005478 |
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6.144 6.805 9.112 90 99.55 90 P2_1/n |
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atom x y z Uiso |
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Cu1 0 .5 .5 .0144 |
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Cu2 0 0 0 .0168 |
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Cu3 .2586 .2384 .7485 .0155 |
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O1 .2998 .2962 .5470 .022 |
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O2 .4190 -.0141 .7727 .022 |
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O3 .2596 .6792 .5372 .019 |
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Cl .1116 -.0038 .3068 .0187 |
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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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Clinoatacamite |
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Malcherek T, Schluter J |
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Acta Crystallographica B65 (2009) 334-341 |
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Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl |
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Locality: Vendida mine, Sierra Gorda district, Chile |
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Note: Sample #1 |
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_database_code_amcsd 0017749 |
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6.1675 6.8327 9.1517 90 99.492 90 P2_1/n |
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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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Cu1 0 .5 .5 .0119 .0131 .0091 -.0014 .0005 .0004 |
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Cu2 0 0 0 .0127 .0113 .0125 .0010 .0051 .0000 |
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Cu3 .25920 .23666 .74865 .0153 .0114 .0097 .0018 .0029 .0017 |
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O1 .3068 .2917 .5480 .0253 .0138 .0110 -.0061 .0054 -.0017 |
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O2 .4221 .9822 .7757 .0139 .0123 .0125 .0001 .0043 -.0005 |
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O3 .2577 .6798 .5400 .0160 .0135 .0109 .0005 .0026 .0024 |
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H1 .281 .181 .486 .026 0 0 0 0 0 |
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H2 .552 .982 .727 .026 0 0 0 0 0 |
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H3 .246 .795 .477 .026 0 0 0 0 0 |
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Cl .1117 .99576 .30678 .0164 .0168 .0148 -.0007 .0008 .0009 |
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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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Clinoatacamite |
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Malcherek T, Schluter J |
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Acta Crystallographica B65 (2009) 334-341 |
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Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl |
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Locality: Santa Catalina mine, Sierra Gorda district, Chile |
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Note: Sample #2 |
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_database_code_amcsd 0017750 |
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6.1226 6.8346 9.1841 90 99.577 90 P2_1/n |
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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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Cu1 0 .5 .5 .0130 .0139 .0129 -.0006 .0033 -.0004 |
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Cu2 0 0 0 .0161 .0164 .0156 -.0001 .0067 -.0003 |
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Cu3 .25292 .24557 .74944 .0181 .0127 .0156 .0008 .0057 .0013 |
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O1 .2809 .3056 .5432 .035 .021 .019 -.013 .011 -.007 |
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O2 .415658 .9945 .7679 .017 .015 .040 .002 .015 -.002 |
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O3 .2675 .6845 .5410 .029 .016 .019 .006 .010 .005 |
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H1 .22 .20 .47 .16 0 0 0 0 0 |
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H2 .580 .993 .78 .16 0 0 0 0 0 |
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H3 .23 .79 .47 .16 0 0 0 0 0 |
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Cl .1124 .9986 .3061 .0181 .0187 .0173 .0002 .0039 .0008 |
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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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Clinoatacamite |
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Wills A S, Henry J Y |
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Journal of Physics: Condensed Matter 20 (2008) 472206-8 |
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On the crystal and magnetic ordering structures of clinoatacamite, |
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gamma-Cu2(OD)3Cl, a proposed valence bond solid |
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Locality: synthetic |
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_database_code_amcsd 0017751 |
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6.15175 6.81606 9.10541 90 99.8394 90 P2_1/n |
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atom x y z Uiso |
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Cu1 .2413 .7656 .25141 .01182 |
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Cu2 .5 0 0 .01182 |
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Cu3 0 0 0 .01182 |
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O1 .0794 .0192 .22345 .01248 |
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O2 .2590 .8204 .03972 .01248 |
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O3 .3097 .2092 .04964 .01248 |
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D1 .72018 .6854 .02134 .0228 |
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D2 .76153 .2920 .02739 .0228 |
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D3 .55273 .5220 .23068 .0228 |
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Cl .61199 .99559 .30733 .01248 |
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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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Clinoatacamite |
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Zheng X G, Kawae T, Kashitani Y, Li C S, Tateiwa N, |
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Takeda K, Yamada H, Xu C N, Ren Y |
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Physical Review B71 (2005) 052409-4 |
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Unconventional magnetic transitions in the mineral clinoatacamite |
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Locality: synthetic |
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_database_code_amcsd 0017752 |
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6.1637 6.8166 9.1140 90 99.6515 90 P2_1/n |
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atom x y z Uiso |
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Cu1 0 .5 .5 .0072 |
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Cu2 0 0 0 .0072 |
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Cu3 .2590 .2358 .7468 .0072 |
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OH1 .311 .2883 .5513 .0126 |
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OH2 .4255 -.008 .7789 .0126 |
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OH3 .2523 .6844 .5362 .0126 |
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Cl .1130 -.0044 .3080 .0141 |
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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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