data_global
_chemical_name_mineral 'Phase-E'
loop_
_publ_author_name
'Kudoh Y'
'Finger L W'
'Hazen R M'
'Prewitt C T'
'Kanzaki M'
'Veblen D R'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 19 
_journal_year 1993
_journal_page_first 357
_journal_page_last 360
_publ_section_title
;
 Phase E: A high pressure hydrous silicate with unique
 crystal chemistry
 Sample: 1
;
_database_code_amcsd 0007732
_chemical_formula_sum 'Mg.338 Si.193 O H.533'
_cell_length_a 2.9701
_cell_length_b 2.9701
_cell_length_c 13.882
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 106.053
_exptl_crystal_density_diffrn      2.836
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
Mg1   0.00000   0.00000   0.00000   0.66400   0.01900
Mg2   0.00000   0.00000   0.50000   0.01300   0.01900
Si   0.00000   0.00000   0.12960   0.19300   0.01178
O   0.00000   0.00000   0.24910   0.46700   0.02786
O-H   0.00000   0.00000   0.24910   0.53300   0.02786