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Antlerite |
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Vilminot S, Richard-Plouet M, Andre G, Swierczynski D, Guillot M, Bouree-Vigneron F, Drillon M |
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Journal of Solid State Chemistry 170 (2003) 255-264 |
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Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of spins s=1/2, |
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_database_code_amcsd 0014031 |
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8.289 6.079 12.057 90 90 90 Pnma |
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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 .00472 .25 .00129 .0093 .0131 .0100 .0101 0 -.0034 0 |
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Cu2 .28997 .00288 .12592 .0095 .0109 .0111 .0115 -.0003 -.0022 .0012 |
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S .13039 .25 .36422 .0078 .0091 .0119 .0074 0 -.0002 0 |
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O1 .2616 .25 .2829 .0124 .0127 .0210 .0147 0 .0039 0 |
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O2 .1984 .25 .4775 .0147 .0234 .0217 .0099 0 -.0061 0 |
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O3 .0313 .0480 .3483 .0131 .0127 .0151 .0198 -.0028 .0022 -.0021 |
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Oh1 .2807 .25 .0250 .0096 .0159 .0137 .0096 0 -.0006 0 |
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Oh2 .7012 .25 .7782 .0110 .0165 .0132 .0091 0 .0019 0 |
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Oh3 .0464 .5067 .1017 .0098 .0118 .0154 .0085 -.0010 .0009 .0003 |
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H1 .362 .25 .978 .0713 |
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H2 .274 .25 .768 .1700 |
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H3 .512 .032 .664 .1712 |
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