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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/2/31/07/2310754.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_2310754
loop_
_publ_author_name
'Brink, C.'
'Stenfert Kroese, H.A.'
_publ_section_title
;
 The crystal structure of K2 Ag I3 and isomorphous Substances
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              433
_journal_page_last               436
_journal_volume                  5
_journal_year                    1952
_chemical_formula_sum            'Ag I3 K2'
_chemical_name_systematic        'K2 (Ag I3)'
_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                   19.52
_cell_length_b                   9.98
_cell_length_c                   4.74
_cell_volume                     923.398
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Brink_ACCRA9_1952_1098.cif
_cod_data_source_block           Ag1I3K2
_cod_original_cell_volume        923.3975
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ag1 I3 K2'
_cod_database_code               2310754
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
K1 K+1 0.714 0.075 0.25 1 0.0
K2 K+1 0.464 0.249 0.25 1 0.0
I1 I-1 0.278 0.187 0.25 1 0.0
I2 I-1 0.071 0.382 0.25 1 0.0
Ag1 Ag+1 0.135 0.129 0.25 1 0.0
I3 I-1 -0.099 0.008 0.25 1 0.0
