#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/1/1008936.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
_chemical_name_systematic          'Manganese carbide (7/3)'
_chemical_formula_structural       'Mn7 C3'
_chemical_formula_sum              'Mn7'
_publ_section_title                'Etude structurale des carbures de manganese'
_publ_author_name                  'Bouchard, J P'
_journal_name_full                 'Annales de Chimie (Paris) (Vol=Year)'
_journal_coden_ASTM                ANCPAC
_journal_volume                    1967
_journal_year                      1967
_journal_page_first                353
_journal_page_last                 366
_cell_length_a                     4.546
_cell_length_b                     6.959
_cell_length_c                     11.976
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       378.9
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n m a'
_symmetry_Int_Tables_number        62
_symmetry_cell_setting             orthorhombic
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_type_symbol
_atom_type_oxidation_number
  Mn0    0.000
  C0     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    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