American Mineralogist Crystal Structure Database

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Hydroxylclinohumite
 
Berry A J, James M
American Mineralogist 86 (2001) 181-184
Refinement of hydrogen positions in synthetic hydroxyl-clinohumite
by powder neutron diffraction
_database_code_amcsd 0002626
4.7488 10.2875 13.6967 100.63 90 90 P2_1/b
atom    x     y     z occ Biso
Mg1    .5     0    .5       .5
Mg2  .495 .9480 .2735       .7
Mg3  .003 .1440 .1711       .5
Mg4  .504 .2523 .3872       .9
Mg5  .492 .8770 .0443       .8
Si1  .073 .0666 .3897      1.0
Si2  .078 .1739 .8341      1.2
O1   .733 .0647 .3892      1.0
O2   .277 .4200 .3881       .9
O3   .224 .1120 .2932       .6
O4   .224 .1575 .4869       .8
O5   .238 .3240 .1638       .4
O6   .775 .9703 .1644       .7
O7   .725 .2825 .2637       .7
O8   .728 .2294 .0715       .8
O9   .261 .0529 .0596      1.5
D1   .098  .017  .008 .52  3.0
D2   .418  .088  .115 .48  3.0
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