#------------------------------------------------------------------------------
#$Date: 2024-05-23 12:45:01 +0300 (Thu, 23 May 2024) $
#$Revision: 292002 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/44/9014428.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9014428
loop_
_publ_author_name
'Wignacourt, J.'
'Mairesse, G.'
'Barbier, P.'
_publ_section_title
;
 Potassium Diaquatetrabromoindate(III)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              669
_journal_page_last               671
_journal_paper_doi               10.1107/S0567740880004062
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Br4 In K O2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.38
_cell_angle_gamma                90
_cell_length_a                   6.852
_cell_length_b                   11.984
_cell_length_c                   6.996
_cell_formula_units_Z            2
_cell_volume                     527.304
_database_code_amcsd             0009704
_exptl_crystal_density_diffrn    3.184
_cod_duplicate_entry             1004048
_cod_original_formula_sum        'In Br4 O2 K'
_cod_database_code               9014428
_amcsd_formula_title             'Br4 H4 In K O2'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In1 0.00000 0.00000 0.00000 1.00000
Br1 0.79670 0.85202 0.71425 1.00000
Br2 0.65924 0.12370 0.87100 1.00000
O1 0.90820 0.92240 0.24710 1.00000
K1 0.71690 0.09400 0.38620 0.50000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009704
