#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1009019.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_1009019
_chemical_name_systematic          'Chromium carbide (7/3)'
_chemical_formula_structural       'Cr7 C3'
_chemical_formula_sum              'Cr7'
_publ_section_title
;
Etude cristallographique des carbures Cr7 C3 et Mn7 C3
;
loop_
_publ_author_name
  'Rouault, M A'
  'Herpin, P'
  'Fruchart, M R'
_journal_name_full                 'Annales de Chimie (Paris) (Vol=Year)'
_journal_coden_ASTM                ANCPAC
_journal_volume                    5
_journal_year                      1970
_journal_page_first                461
_journal_page_last                 470
_cell_length_a                     7.01
_cell_length_b                     12.142
_cell_length_c                     4.526
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       385.2
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P m c n'
_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'
  '1/2+x,-y,-z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,y,z'
  'x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Cr0    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
  Cr1   Cr0    8 d 0.064(2) 0.811(9) 0.056(5) 1.  0 d
  Cr2   Cr0    4 c 0.25 0.626(1) 0.057(9) 1.  0 d
  Cr3   Cr0    4 c 0.25 0.206(3) 0.250(1) 1.  0 d
  Cr4   Cr0    4 c 0.25 0.416(5) 0.261(9) 1.  0 d
  Cr5   Cr0    8 d 0.065(7) 0.021(8) 0.250(9) 1.  0 d
  C1    C0     4 c 0.25 0.562(9) 0.459(4) 1.  0 d
  C2    C0     8 d 0.029(1) 0.342(8) 0.028(8) 1.  0 d
_refine_ls_R_factor_all            0.1