#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/89/1008936.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_1008936
loop_
_publ_author_name
'Bouchard, J P'
_publ_section_title              'Etude structurale des carbures de manganese'
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              353
_journal_page_last               366
_journal_volume                  1967
_journal_year                    1967
_chemical_formula_structural     'Mn7 C3'
_chemical_formula_sum            'C3 Mn7'
_chemical_name_systematic        'Manganese carbide (7/3)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.546
_cell_length_b                   6.959
_cell_length_c                   11.976
_cell_volume                     378.9
_cod_database_code               1008936
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,1/2-z
-x,1/2+y,-z
1/2-x,-y,1/2+z
-x,-y,-z
1/2-x,1/2+y,1/2+z
x,1/2-y,z
1/2+x,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 d 0.25 0.07 0.02 1. 0 d
Mn2 Mn0 8 d 0. 0.07 0.81 1. 0 d
Mn3 Mn0 4 c 0.24 0.25 0.2 1. 0 d
Mn4 Mn0 4 c 0.25 0.25 0.42 1. 0 d
Mn5 Mn0 4 c 0. 0.25 0.63 1. 0 d
C1 C0 8 d 0.11 0.03 0.35 1. 0 d
C2 C0 4 c 0.38 0.25 0.57 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Mn0 0.000
C0 0.000
