#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (Sun 14 de Feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/83/1008303.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1008303
loop_
_publ_author_name
'Eddine, M N'
'Bertaut, E F'
_publ_section_title
;
Structure cristallographique et magnetique de Mn₂ N~0.86~ a basse
Temperature
;
_journal_coden_ASTM              SSCOA4
_journal_name_full               'Solid State Communications'
_journal_page_first              147
_journal_page_last               150
_journal_paper_doi               10.1016/0038-1098(77)90097-7
_journal_volume                  23
_journal_year                    1977
_chemical_formula_structural     'Mn2 N0.86'
_chemical_formula_sum            'Mn2 N0.86'
_chemical_name_systematic        'Manganese nitride (2/0.86)'
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   4.8552
_cell_length_b                   8.4088
_cell_length_c                   4.5327
_cell_volume                     185.1
_cod_original_formula_sum        'Mn2 N.86'
_cod_database_code               1008303
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,-z
-x,-y,1/2+z
-x,y,1/2-z
1/2+x,1/2+y,z
1/2+x,1/2-y,-z
1/2-x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
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 8 c 0.83 0.83 0. 1. 0 d
Mn2 Mn0 4 a 0.333 0. 0. 1. 0 d
N1 N0 4 b 0. 0. 0.25 0.43 0 d
N2 N0 4 b 0. 0.6667 0.25 0.12 0 d
N3 N0 4 b 0. 0.3333 0.25 0.72 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn0 0.000
N0 0.000
