#------------------------------------------------------------------------------
#$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $
#$Revision: 177123 $
#$URL: svn://www.crystallography.net/cod/cif/5/91/00/5910076.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_5910076
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Pages 236 & 241 from the second edition of Structure of Crystals by Wyckoff
R W G.published by The Chemical Catalog Company, INC, New York in 1931.
;
_journal_name_full               'The second edition of Structure of Crystals'
_journal_page_first              236
_journal_page_last               241
_journal_year                    1931
_chemical_formula_structural     BaC2
_chemical_formula_sum            'C2 Ba'
_chemical_name_systematic        'Barium carbide'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_creation_date             2005-30-10
_audit_creation_method
;
Pages 236 & 241 from the second edition of Structure of Crystals by Wyckoff
R W G.published by The Chemical Catalog Company, INC, New York in 1931.
;
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.39
_cell_length_b                   4.39
_cell_length_c                   7.04
_cell_volume                     135.676
_cod_original_sg_symbol_H-M      'I4/m m m'
_cod_original_formula_sum        'Ba C2'
_cod_database_code               5910076
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
y,-x,z
x,-y,-z
-x,y,-z
-x,-y,z
y,x,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
-y,x,-z
-x,y,z
x,-y,z
x,y,-z
-y,-x,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,z+1/2
y+1/2,x+1/2,z+1/2
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.00000 0.00000 0.00000 Ba1
0.50000 0.50000 0.50000 Ba2
0.00000 0.00000 0.38000 C1
0.00000 0.00000 -0.38000 C2
