#------------------------------------------------------------------------------
#$Date: 2022-09-25 22:10:12 +0300 (Sun, 25 Sep 2022) $
#$Revision: 278158 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/90/1009019.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
loop_
_publ_author_name
'Rouault, M A'
'Herpin, P'
'Fruchart, M R'
_publ_section_title
;
Etude cristallographique des carbures Cr7 C3 et Mn7 C3
;
_journal_coden_ASTM              ANCPAC
_journal_name_full               'Annales de Chimie (Paris) (Vol=Year)'
_journal_page_first              461
_journal_page_last               470
_journal_volume                  5
_journal_year                    1970
_chemical_formula_structural     'Cr7 C3'
_chemical_formula_sum            'C3 Cr7'
_chemical_name_systematic        'Chromium carbide (7/3)'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.01
_cell_length_b                   12.142
_cell_length_c                   4.526
_cell_volume                     385.2
_refine_ls_R_factor_all          0.1
_cod_original_formula_sum        'Cr7 C3'
_cod_database_code               1009019
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
Cr0 0.000
C0 0.000
