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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/1/53/54/1535412.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_1535412
loop_
_publ_author_name
'Bonamico, M.'
'Duranti, D.'
'Vaciago, A.'
'Zambonelli, L.'
_publ_section_title
;
 Struttura cristallina del pentabromocarboniliridato(III) di potassio
;
_journal_name_full
;
Ricerca Scientifica, Parte 2: Rendiconti, Sezione A: Abiologica
;
_journal_page_first              613
_journal_page_last               621
_journal_volume                  7
_journal_year                    1964
_chemical_formula_sum            'C Br5 Ir K2 O'
_chemical_name_systematic        'K2 Ir Br5 C O'
_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                   14
_cell_length_b                   10.663
_cell_length_c                   7.17
_cell_volume                     1070.352
_citation_journal_id_ASTM        RSRAAQ
_cod_data_source_file            Bonamico_RSRAAQ_1964_561.cif
_cod_data_source_block           C1Br5Ir1K2O1
_cod_original_formula_sum        'C1 Br5 Ir1 K2 O1'
_cod_database_code               1535412
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
Br3 Br-1 0.2232 0.25 -0.1234 1 0.0
K1 K+1 0.3492 -0.0016 0.16 1 0.0
Ir1 Ir+3 0.1137 0.25 0.1865 1 0.0
Br1 Br-1 0.1135 0.0164 0.1826 1 0.0
Br4 Br-1 0.2592 0.25 0.4284 1 0.0
Br2 Br-1 0.0076 0.25 0.451 1 0.0
C1 C+2 0.025 0.25 0.027 1 0.0
O1 O-2 -0.025 0.25 -0.027 1 0.0
