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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/03/1530313.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_1530313
loop_
_publ_author_name
'Louer, M.'
'Louer, D.'
_publ_section_title
;
 Syntheses et structures cristallines de Cs3 M I4 N O3 (M= Zn, Co, Cd): Un
 exemple de substitution selective
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              272
_journal_page_last               279
_journal_volume                  65
_journal_year                    1986
_chemical_formula_sum            'Co Cs3 I4 N O3'
_chemical_name_systematic        'Cs3 Co I4 (N O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.078
_cell_length_b                   11.621
_cell_length_c                   14.262
_cell_volume                     1670.315
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Louer_JSSCBI_1986_1307.cif
_cod_data_source_block           Co1Cs3I4N1O3
_cod_original_formula_sum        'Co1 Cs3 I4 N1 O3'
_cod_database_code               1530313
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-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
I1 I-1 0.3005 0.0612 0.0569 1 0.0
Cs2 Cs+1 -0.0982 -0.0116 0.1805 1 0.0
I2 I-1 -0.041 0.25 -0.0017 1 0.0
N1 N+5 0.675 0.75 0.2317 1 0.0
Co1 Co+2 0.1762 0.25 0.0985 1 0.0
O1 O-2 0.784 0.75 0.25 1 0.0
I3 I-1 0.1267 0.25 0.2271 1 0.0
Cs1 Cs+1 0.5777 0.25 0.949 1 0.0
O2 O-2 0.62 0.66 0.213 1 0.0
