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Bonattite |
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Zahrobsky R F, Baur W H |
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Acta Crystallographica B24 (1968) 508-513 |
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On the crystal chemistry of salt hydrates. V. The determination of the crystal |
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structure of CuSO4*3H2O (bonattite) |
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Locality: synthetic |
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_database_code_amcsd 0009338 |
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5.592 13.029 7.341 90 97.05 90 Cc |
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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 .5 .3640 .5 .00527 .00104 .00207 -.00058 .00055 -.00010 |
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S .2643 .1115 .4168 .00422 .00056 .00216 -.00017 .00055 -.00015 |
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O1 .1618 .1639 .2446 .01639 .00081 .00263 -.00017 -.00346 .00171 |
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O2 .8319 .3057 .0505 .01526 .00134 .00287 .00266 -.00061 .00147 |
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O3 .4788 .0536 .3805 .01136 .00304 .00701 .00342 .00507 .00173 |
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O4 .0866 .9562 .9825 .01006 .00167 .00772 .00134 .00500 -.00039 |
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O5 .3360 .3725 .2462 .00852 .00156 .00433 -.00024 .00111 .00034 |
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O6 .6940 .0911 .0809 .01030 .00132 .00334 -.00110 .00340 -.00002 |
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O7 .7840 .3041 .4103 .00608 .00291 .00310 .00107 .00154 -.00010 |
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H1 .428 .397 .151 |
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H2 .174 .355 .192 |
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H3 .635 .093 .200 |
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H4 .604 .040 .003 |
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H5 .930 .276 .476 |
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H6 .795 .304 .280 |
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