#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/28/7222858.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_7222858
loop_
_publ_author_name
'Krug, J.'
'Sieg, L.'
_publ_section_title
;
 Die Struktur der Hochtemperatur-Modifikationen des Cu Br und Cu I
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik 
(2,1947-32,1977)
;
_journal_page_first              369
_journal_page_last               371
_journal_volume                  7
_journal_year                    1952
_chemical_formula_sum            'Cu I'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.31
_cell_length_b                   4.31
_cell_length_c                   7.09
_cell_volume                     114.059
_citation_journal_id_ASTM        ZENAAU
_cod_data_source_file            Krug_ZENAAU_1952_262.cif
_cod_data_source_block           Cu1I1
_cod_original_cell_volume        114.0595
_cod_original_formula_sum        'Cu1 I1'
_cod_database_code               7222858
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,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
I1 I-1 0.3333 0.6667 0 1 0.0
Cu1 Cu+1 0.3333 0.6667 0.375 1 0.0
