#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/40/1004072.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_1004072
_chemical_name_systematic          'Potassium tetrabromoindate'
_chemical_formula_structural       'K (In Br4)'
_chemical_formula_sum              'Br4 In K'
_publ_section_title
;
Potassium Tetrabromoindate(III), K (In Br~4~)
;
loop_
_publ_author_name
  'Wignacourt, J P'
  'Mairesse, G'
  'Abraham, F'
_journal_name_full                 'Acta Crystallographica C (39,1983-)'
_journal_coden_ASTM                ACSCEE
_journal_volume                    40
_journal_year                      1984
_journal_page_first                2006
_journal_page_last                 2007
_cell_length_a                     7.891(12)
_cell_length_b                     10.390(5)
_cell_length_c                     10.390(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       851.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        3.63
_symmetry_space_group_name_H-M     'P n n a'
_symmetry_Int_Tables_number        52
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,z'
  'x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2+x,y,-z'
  '-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  In3+   3.000
  Br1-  -1.000
  K1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  In1   In3+   4 e 0.25 0. 0.1808(1) 1.  0 d
  Br1   Br1-   8 e 0.3428(2) 0.1875(2) 0.0486(2) 1.  0 d
  Br2   Br1-   8 e -0.0018(2) 0.0544(1) 0.3197(2) 1.  0 d
  K1    K1+    4 d 0.6792(6) 0.25 0.25 1.  0 d
_refine_ls_R_factor_all            0.052
_cod_database_code 1004072