#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/62/1536279.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_1536279
loop_
_publ_author_name
'Jouini, N.'
'Guen, L.'
'Tournoux, M.'
_publ_section_title
;
 Structure cristalline de Cs Cu2 I3
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              486
_journal_page_last               491
_journal_volume                  17
_journal_year                    1980
_chemical_formula_sum            'Cs Cu2 I3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.505
_cell_length_b                   13.147
_cell_length_c                   6.072
_cell_volume                     838.599
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Jouini_RVCMA8_1980_481.cif
_cod_data_source_block           Cs1Cu2I3
_cod_original_cell_volume        838.5993
_cod_original_formula_sum        'Cs1 Cu2 I3'
_cod_database_code               1536279
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
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
I1 I-1 0.7172 0.8803 0.25 1 0.0
I2 I-1 0 0.1203 0.25 1 0.0
Cu1 Cu+1 0.851 0 0 1 0.0
Cs1 Cs+1 0 0.6723 0.25 1 0.0
