data_global
_chemical_name_mineral 'Brucite'
loop_
_publ_author_name
'Parise J B'
'Leinenweber K'
'Weidner D J'
'Tan K'
'Von Dreele R B'
_journal_name_full 'American Mineralogist'
_journal_volume 79 
_journal_year 1994
_journal_page_first 193
_journal_page_last 196
_publ_section_title
;
 Pressure-induced H bonding: Neutron diffraction study of brucite, Mg(OD)2, to
 9.3 GPa
 P = 5.4 GPa
;
_database_code_amcsd 0001639
_chemical_formula_sum 'Mg O2 D1.998'
_cell_length_a 3.0728
_cell_length_b 3.0728
_cell_length_c 4.496
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 36.764
_exptl_crystal_density_diffrn      2.725
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Mg   0.00000   0.00000   0.00000   1.00000   0.01000
O   0.33333   0.66667   0.22900   1.00000   0.01000
D   0.38900   0.77800   0.43500   0.33300   0.01200