#------------------------------------------------------------------------------
#$Date: 2011-06-11 09:04:15 +0300 (Sat, 11 Jun 2011) $
#$Revision: 20519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010500.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_1010500
_chemical_name_systematic          'Calcium duo-dicarbide'
_chemical_formula_structural       'Ca C2'
_chemical_formula_sum              'Ca2 C4'
_publ_section_title                'Die Kristallstruktur des Calciumcarbides.'
_space_group_IT_number           201
_symmetry_space_group_name_Hall  'P 2 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 :1'
_[local]_cod_cif_authors_sg_H-M  'P n -3 S'
loop_
_publ_author_name
  'Dehlinger, U'
  'Glocker, R'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    64
_journal_year                      1926
_journal_page_first                296
_journal_page_last                 302
_cell_length_a                     5.73(1)
_cell_length_b                     5.73(1)
_cell_length_c                     5.73(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       188.1
_cell_formula_units_Z              2
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  '-x,y,-z'
  '-x,-y,z'
  'y,z,x'
  '-y,-z,x'
  'y,-z,-x'
  '-y,z,-x'
  'z,x,y'
  '-z,x,-y'
  '-z,-x,y'
  'z,-x,-y'
  '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+x,1/2+y,1/2-z'
  '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+x'
  '1/2+y,1/2-z,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+x,1/2+y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ca2+   2.000
  C1-   -1.000
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
  Ca1   Ca2+   4 b 0.25 0.25 0.25 1.  0 d
  C1    C1-    8 e -0.1 -0.1 -0.1 1.  0 d
_cod_database_code 1010500