#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529980.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_1529980
loop_
_publ_author_name
'Geller, S.'
'Akridge, J.R.'
'Wilber, S.A.'
_publ_section_title
;
 Crystal structure and conductivity of the solid electrolyte alpha-Rb Cu4
 Cl3 I2
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              5396
_journal_page_last               5402
_journal_volume                  19
_journal_year                    1979
_chemical_formula_sum            'Cl3 Cu3.886 I2 Rb'
_chemical_name_systematic        'Rb Cu4 Cl3 I2'
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.032
_cell_length_b                   10.032
_cell_length_c                   10.032
_cell_volume                     1009.631
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Geller_PRBMDO_1979_487.cif
_cod_data_source_block           Cl3Cu3.886I2Rb1
_cod_original_formula_sum        'Cl3 Cu3.886 I2 Rb1'
_cod_database_code               1529980
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x+1/2,-y+1/2,-z
y+3/4,x+1/4,-z+1/4
-x,y+1/2,-z+1/2
-y+3/4,-x+3/4,-z+3/4
z,x,y
-x+1/4,z+3/4,y+1/4
-z+1/2,-x,y+1/2
x+1/4,-z+1/4,y+3/4
z+1/2,-x+1/2,-y
x+3/4,z+1/4,-y+1/4
-z,x+1/2,-y+1/2
-x+3/4,-z+3/4,-y+3/4
y,z,x
y+1/2,-z+1/2,-x
z+3/4,y+1/4,-x+1/4
-y,z+1/2,-x+1/2
-z+3/4,-y+3/4,-x+3/4
-y+1/2,-z,x+1/2
z+1/4,-y+1/4,x+3/4
-z+1/4,y+3/4,x+1/4
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
Rb1 Rb+1 0.375 0.375 0.375 1 0.0
Cu3 Cu+1 0.161 0.161 0.161 0.044 0.0
Cl1 Cl-1 0.375 0.8496 0.9004 1 0.0
Cu2 Cu+1 0.0026 0.8341 0.2132 0.294 0.0
Cu1 Cu+1 0.5214 0.2919 0.7977 0.339 0.0
I1 I-1 0.0103 0.0103 0.0103 1 0.0
