#------------------------------------------------------------------------------
#$Date: 2015-10-09 20:12:45 +0300 (Fri, 09 Oct 2015) $
#$Revision: 162596 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103965.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_8103965
loop_
_publ_author_name
'Blendl, C.'
'Range, K.J.'
_publ_section_title
;
 Cu3 As4 - eine Kolumnarstruktur: mit polykondensierten hetero-nuklearen
 Cunean-Einheiten
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              17
_journal_page_last               18
_journal_volume                  159
_journal_year                    1982
_chemical_formula_sum            'As4 Cu3'
_chemical_name_systematic        'Cu3 As4'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.54
_cell_length_b                   13.45
_cell_length_c                   13.77
_cell_volume                     655.631
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Blendl_ZEKRDZ_1982_91.cif
_cod_data_source_block           As4Cu3
_cod_database_code               8103965
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
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
-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
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
Cu2 Cu 0.5 0.5 0.178 1 0.0
As3 As 0 0.5 0.298 1 0.0
As2 As 0 0.112 0 1 0.0
As1 As 0 0.238 0.148 1 0.0
Cu1 Cu 0.5 0.346 0.089 1 0.0
