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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/71/2107144.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_2107144
loop_
_publ_author_name
'Ryan, R.R.'
'Asprey, L.B.'
_publ_section_title
;
 The crystal structure of Cs I O F4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              979
_journal_page_last               981
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'Cs F4 I O'
_chemical_name_systematic        'Cs I O F4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.024
_cell_length_b                   15.488
_cell_length_c                   6.214
_cell_volume                     579.764
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Ryan_ACBCAR_1972_1940.cif
_cod_data_source_block           Cs1F4I1O1
_cod_original_cell_volume        579.7645
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'Cs1 F4 I1 O1'
_cod_database_code               2107144
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,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+5 0.25 0.1609 0.2284 1 0.0
O1 O-2 0.25 0.103 0.992 1 0.0
Cs1 Cs+1 0.25 0.8968 0.2185 1 0.0
F2 F-1 0.018 0.236 0.102 1 0.0
F1 F-1 0.023 0.084 0.345 1 0.0
