data_1008015
_chemical_name_systematic          'MANGANESE NITRIDE (2/0.9)'
_chemical_formula_structural       'MN2 N0.86'
_chemical_formula_sum              'Mn2 N.86'
_publ_section_title
;
Structure cristallographique de Mn~2~ N~0.86~
;
loop_
_publ_author_name
  'Eddine, M N'
  'Bertaut, E F'
  'Maunaye, M'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    33
_journal_year                      1977
_journal_page_first                2696
_journal_page_last                 2698
_cell_length_a                     4.8551
_cell_length_b                     4.8551
_cell_length_c                     4.5326
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       92.5
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P 63 2 2'
_symmetry_Int_Tables_number        182
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
  '-x,-y,1/2+z'
  'y,y-x,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,1/2-z'
  'y-x,y,1/2-z'
  'x,x-y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Mn0    0.000
  N0     0.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Mn1   Mn0    6 g 0.3333 0. 0. 1.  0 d
  N1    N0     2 b 0. 0. 0.25 0.43  0 d
  N2    N0     2 c 0.3333 0.6667 0.25 0.74  0 d
  N3    N0     2 d 0.3333 0.6667 0.75 0.12  0 d