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Callaghanite |
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Brunton G D |
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American Mineralogist 58 (1973) 965-965 |
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Refinement of the callaghanite structure |
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_database_code_amcsd 0000388 |
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10.0060 11.7520 8.2132 90 107.38 90 C2/c |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Cu .04844 .10820 .45595 .00171 .00091 .00390 -.00015 .00087 .00022 |
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Mg .15640 .31527 .32767 .00156 .00114 .00363 -.00003 .00053 .00023 |
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C 0 .5395 .25 .0023 .0011 .0040 0 .0007 0 |
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O1 .1165 .4860 .2787 .0025 .00134 .0083 .00031 .0007 .00004 |
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O2 0 .6487 .25 .0033 .00107 .0099 0 .0024 0 |
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OH1 .0169 .2648 .0987 .00212 .00140 .0037 -.00010 .00080 -.00033 |
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OH2 .1153 .9511 .4962 .00226 .00133 .0055 -.00011 .00131 .00017 |
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OH3 .2225 .15247 .4171 .00184 .00141 .0041 -.00007 .00098 .00014 |
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Wat .3328 .3271 .2481 .0028 .00211 .0056 .00037 .0021 .00049 |
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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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