data_global
_amcsd_formula_title 'MgSi(OH)6'
loop_
_publ_author_name
'Wunder B'
'Jahn S'
'Koch-Muller M'
'Speziale S'
_journal_name_full 'American Mineralogist'
_journal_volume 97 
_journal_year 2012
_journal_page_first 1043
_journal_page_last 1048
_publ_section_title
;
 The 3.65 A phase, MgSi(OH)6: structural insights from
 DFT-calculations and T-dependent IR spectroscopy
;
_database_code_amcsd 0019163
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg Si O6 H6'
_cell_length_a 5.1131
_cell_length_b 5.1898
_cell_length_c 7.3303
_cell_angle_alpha 90
_cell_angle_beta 90.03
_cell_angle_gamma 90
_cell_volume 194.517
_exptl_crystal_density_diffrn      2.637
_symmetry_space_group_name_H-M 'P 1 21 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg   0.75900   0.51400   0.25100   0.00040
Si   0.25000   0.01300   0.25000   0.00040
O1   0.36300   0.97700   0.48200   0.00070
O2   0.86300   0.55000   0.97800   0.00070
O3   0.90700   0.80300   0.69300   0.00070
O4   0.45000   0.66100   0.80200   0.00070
O5   0.94800   0.83900   0.32000   0.00070
O6   0.39100   0.70500   0.18000   0.00070
H1   0.45700   0.80300   0.48900   0.00100
H2   0.96300   0.69900   0.98500   0.00100
H3   0.30600   0.54600   0.77400   0.00100
H4   0.77500   0.95100   0.73100   0.00100
H5   0.93500   0.85200   0.44500   0.00100
H6   0.41200   0.69300   0.05300   0.00100