#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/72/2107224.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107224
loop_
_publ_author_name
'Figgis, B.N.'
'Kucharski, E.S.'
'Reynolds, P.A.'
_publ_section_title
;
 Electron density distribution in Cs3 Co Cl5
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              232
_journal_page_last               240
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'Cl5 Co Cs3'
_chemical_name_systematic        'Cs3 (Co Cl4) Cl'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.123
_cell_length_b                   9.123
_cell_length_c                   14.499
_cell_volume                     1206.739
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Figgis_ASBSDK_1989_682.cif
_cod_data_source_block           Cl5Co1Cs3
_cod_original_formula_sum        'Cl5 Co1 Cs3'
_cod_database_code               2107224
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,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
Cs1 Cs+1 0 0 0.5 1 0.0
Co1 Co+2 0 0.5 0.25 1 0.0
Cl1 Cl-1 0 0 0 1 0.0
Cl2 Cl-1 0.1415 0.6415 0.15722 1 0.0
Cs2 Cs+1 0.66324 0.16324 0 1 0.0
