data_global
_chemical_name_mineral 'Pyrophanite'
loop_
_publ_author_name
'Liferovich R P'
'Mitchell R H'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 44 
_journal_year 2006
_journal_page_first 1099
_journal_page_last 1107
_publ_section_title
;
 The pyrophanite-geikielite solid-solution series: crystal structures of the
 Mn1-xMgxTiO3 series (0 < x < 0.7)
 Sample: XMg = 0.1
;
_database_code_amcsd 0006102
_chemical_compound_source 'Synthetic'
_chemical_formula_sum '(Mn.9 Mg.1) Ti O3'
_cell_length_a 5.1303
_cell_length_b 5.1303
_cell_length_c 14.2428
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 324.647
_exptl_crystal_density_diffrn      4.534
_symmetry_space_group_name_H-M 'R -3'
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'
  '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
Mn   0.00000   0.00000   0.35970   0.90000   0.00697
Mg   0.00000   0.00000   0.35970   0.10000   0.00697
Ti   0.00000   0.00000   0.14752   1.00000   0.00532
O1   0.31989   0.03003   0.24268   1.00000   0.00583