#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/97/1539742.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_1539742
loop_
_publ_author_name
'Bigalke, K.P.'
'Hans, A.'
'Hartl, H.'
_publ_section_title
;
 Synthese und Strukturuntersuchungen von Iodocupraten(I). IX Synthese und
 Kristallstrukturen von Cs3 Cu2 I5 und Rb Cu2 I3
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              96
_journal_page_last               104
_journal_volume                  563
_journal_year                    1988
_chemical_formula_sum            'Cs3 Cu2 I5'
_chemical_name_systematic        'Cs3 (Cu2 I5)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.386
_cell_length_b                   10.147
_cell_length_c                   11.675
_cell_volume                     1704.255
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Bigalke_ZAACAB_1988_28.cif
_cod_data_source_block           Cs3Cu2I5
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_database_code               1539742
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
I2 I-1 0.79302 0.8426 0.75 1 0.0
Cs2 Cs+1 0.67792 1.05258 0.99001 1 0.0
Cu1 Cu+1 0.6282 0.7664 0.75 1 0.0
Cs1 Cs+1 0.45087 0.40461 0.75 1 0.0
I1 I-1 0.55196 0.6908 0.56159 1 0.0
I4 I-1 0.284 0.7002 0.75 1 0.0
Cu2 Cu+1 0.4522 0.783 0.75 1 0.0
I3 I-1 0.49079 1.033 0.75 1 0.0
