American Mineralogist Crystal Structure Database

2 matching records for this search.

Hydroxylclinohumite
 
Berry A J, James M
Download am/vol86/AM86_181.pdf
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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View JMOL 3-D Structure (permalink)
 
Chondrodite
Download hom/chondrodite.pdf
Berry A J, James M
Download mm/vol66/MM66_441.pdf
Mineralogical Magazine 66 (2002) 441-449
Refinement of hydrogen positions in natural chondrodite by powder neutron
diffraction: implications for the stability of humite minerals
Locality: Orange county, New York, USA
_database_code_amcsd 0019536
4.7204 10.2360 7.8252 109.11 90 90 P2_1/b
atom     x      y     z occ Biso
Mg1     .5      0    .5 .93   .7
Fe1     .5      0    .5 .07   .7
Mg2  .0125  .1711 .3052       .7
Mg3  .4979  .8845 .0781       .6
Si   .0784  .1459 .7027      1.0
O1   .7805 -.0001 .2926      1.1
O2   .7254  .2417 .1263       .7
O3   .2286  .1692 .5263      1.2
O4   .2657  .8527 .2920       .8
F5   .2726  .0561 .1007 .77   .9
O5   .2726  .0561 .1007 .23   .9
H1    .082   .023  .028 .23  3.0
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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