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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/08/1540818.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_1540818
loop_
_publ_author_name
'Vannerberg, N.'
_publ_section_title
;
 The crystal structure of calcium carbide II and IV
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              1212
_journal_page_last               1220
_journal_volume                  16
_journal_year                    1962
_chemical_formula_sum            'C2 Ca'
_chemical_name_systematic        'Ca C2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.4
_cell_angle_beta                 92.5
_cell_angle_gamma                89.9
_cell_formula_units_Z            8
_cell_length_a                   8.42
_cell_length_b                   11.84
_cell_length_c                   3.94
_cell_volume                     391.725
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Vannerberg_ACSAA4_1962_1668.cif
_cod_data_source_block           C2Ca1
_cod_original_cell_volume        391.7249
_cod_original_sg_symbol_H-M      'P -1 (a+b,a-b,-c)'
_cod_original_formula_sum        'C2 Ca1'
_cod_database_code               1540818
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
C2 C-1 0.187 0.126 0.192 1 0.0
Ca1 Ca+2 0.375 0.141 0.717 1 0.0
Ca2 Ca+2 0.875 0.109 0.783 1 0.0
C1 C-1 0.066 0.124 0.317 1 0.0
C4 C-1 0.59 0.16 0.317 1 0.0
C3 C-1 0.66 0.09 0.192 1 0.0
