data_global
_chemical_name_mineral 'Melanostibite'
loop_
_publ_author_name
'Moore P B'
_journal_name_full 'American Mineralogist'
_journal_volume 53
_journal_year 1968
_journal_page_first 1104
_journal_page_last 1109
_publ_section_title
;
 Substitutions of the type (Sb0.5Fe0.5)-(Ti): The crystal structure of
 melanostibite
;
_database_code_amcsd 178
_chemical_formula_sum 'Mn (Fe.5 Sb.5) O3'
_cell_length_a 5.226
_cell_length_b 5.226
_cell_length_c 14.325
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0
_cell_volume 338.816
_exptl_crystal_density_diffrn  5.638
_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   0.0  0.0  0.1378  1.0  0.00633
Fe   0.0  0.0  0.3473  0.5  0.00279
Sb   0.0  0.0  0.3473  0.5  0.00279
O   0.2873  -0.0252  0.2559  1.0  0.00747