#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/61/1536164.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_1536164
loop_
_publ_author_name
'Cremer, U.'
'Kockelmann, W.'
'Bertmer, M.'
'Ruschewitz, U.'
_publ_section_title
;
 Alkali metal copper acetylides A Cu C2 (A= Na - Cs): synthesis, crystal
 structures and spectroscopic properties
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              247
_journal_page_last               253
_journal_volume                  4
_journal_year                    2002
_chemical_formula_sum            'C2 Cu K'
_chemical_name_systematic        'K Cu C2'
_space_group_IT_number           131
_symmetry_space_group_name_Hall  '-P 4c 2'
_symmetry_space_group_name_H-M   'P 42/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.9098
_cell_length_b                   4.9098
_cell_length_c                   7.6078
_cell_volume                     183.395
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Cremer_SSSCFJ_2002_340.cif
_cod_data_source_block           C2Cu1K1
_cod_original_cell_volume        183.3947
_cod_original_formula_sum        'C2 Cu1 K1'
_cod_database_code               1536164
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z+1/2
-x,-y,z
y,-x,z+1/2
x,-y,-z
y,x,-z+1/2
-x,y,-z
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z-1/2
x,y,-z
-y,x,-z-1/2
-x,y,z
-y,-x,z-1/2
x,-y,z
y,x,z-1/2
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
C1 C 0.1223 0.5 0.5 1 0.0
K1 K 0 0 0.25 1 0.0
Cu1 Cu 0.5 0.5 0 1 0.0
