data_global
_chemical_name_mineral 'Phase-F'
loop_
_publ_author_name
'Kudoh Y'
'Nagase T'
'Sasaki S'
'Tanaka M'
'Kanzaki M'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 22 
_journal_year 1995
_journal_page_first 295
_journal_page_last 299
_publ_section_title
;
 Phase F, a new hydrous magnesium silicate synthesized at 1000 C
 and 17 GPa: Crystal structure and estimated bulk modulus
 Note: The authors withdrew this structure, it is not Phase-F
 See PCM 24 (1997) 610
;
_database_code_amcsd 0007918
_chemical_formula_sum 'Mg.78 Si1.06 O3'
_cell_length_a 5.073
_cell_length_b 5.073
_cell_length_c 14.013
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 312.314
_exptl_crystal_density_diffrn      3.086
_symmetry_space_group_name_H-M 'P 63 c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,z'
  'x-y,x,1/2+z'
  '-y,-x,1/2+z'
  '-y,x-y,z'
  'x-y,-y,z'
  '-x,-y,1/2+z'
  'x,x-y,1/2+z'
  '-x+y,-x,z'
  'y,x,z'
  'y,-x+y,1/2+z'
  '-x+y,y,1/2+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
MgM1   0.63400   0.00000   0.32100   0.29000   0.02280
SiM1   0.63400   0.00000   0.32100   0.29000   0.02280
MgM2   0.68800   0.00000   0.17600   0.16000   0.05066
SiM2   0.68800   0.00000   0.17600   0.16000   0.05066
MgM3   0.00000   0.00000  -0.02600   0.09000   0.03040
SiM3   0.00000   0.00000  -0.02600   0.09000   0.03040
MgM4   0.33333   0.66667  -0.00100   0.45000   0.03040
SiM4   0.33333   0.66667  -0.00100   0.45000   0.03040
SiT1   0.00000   0.00000   0.13400   0.48000   0.02406
SiT2   0.66667   0.33333   0.36900   0.18000   0.00127
O1   0.35700   0.00000   0.08100   1.00000   0.04053
O2   0.66100   0.00000  -0.08800   1.00000   0.05446
O3   0.33333   0.66667   0.24600   1.00000   0.03673
O4   0.00000   0.00000   0.25000   1.00000   0.09879