#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/73/1537329.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_1537329
loop_
_publ_author_name
'Gattow, G.'
_publ_section_title
;
 Die Kristallstruktur von Cu Se2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              312
_journal_page_last               318
_journal_volume                  340
_journal_year                    1965
_chemical_formula_sum            'Cu Se2'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.103
_cell_length_b                   6.292
_cell_length_c                   3.812
_cell_volume                     122.396
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Gattow_ZAACAB_1965_921.cif
_cod_data_source_block           Cu1Se2
_cod_original_formula_sum        'Cu1 Se2'
_cod_database_code               1537329
loop_
_symmetry_equiv_pos_as_xyz
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,-y,-z
x,y,-z
-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
Cu1 Cu+2 0 0 0 1 0.0
Se1 Se-1 0.176 0.387 0 1 0.0
