data_global
_amcsd_formula_title 'MnTiO3'
loop_
_publ_author_name
'Ross N L'
'Ko J'
'Prewitt C T'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 16 
_journal_year 1989
_journal_page_first 621
_journal_page_last 629
_publ_section_title
;
 A new phase transition in MnTiO3: LiNbO3-perovskite structure
 Sample: P = 4.5 GPa
;
_database_code_amcsd 0007462
_chemical_formula_sum 'Mn Ti O3'
_cell_length_a 5.1048
_cell_length_b 5.3046
_cell_length_c 7.418
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 200.871
_exptl_crystal_density_diffrn      4.987
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mn   0.98750   0.05430   0.25000   0.01115
Ti   0.00000   0.50000   0.00000   0.00849
O1   0.11340   0.45340   0.25000   0.00709
O2   0.68850   0.30730   0.06210   0.01013