#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/24/2002441.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_2002441
_chemical_name_systematic          'Barium tetraoxodiindate'
_chemical_formula_structural       'Ba (In2 O4)'
_chemical_formula_sum              'Ba In2 O4'
_publ_section_title
;
Zur Verbindungsbildung Me O:M2 O3. XI Die Kristallstruktur von Ba In2 O4
;
loop_
_publ_author_name
  'Lalla, A'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of the Less-Common Metals'
_journal_volume                    154
_journal_year                      1989
_journal_page_first                233
_journal_page_last                 241
_cell_length_a                     14.432(3)
_cell_length_b                     5.833(1)
_cell_length_c                     20.79199(300)
_cell_angle_alpha                  90
_cell_angle_beta                   110.02
_cell_angle_gamma                  90
_cell_volume                       1644.5
_cell_formula_units_Z              16
_symmetry_space_group_name_H-M     'P 1 21/a 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  In3+   3.000
  O2-   -2.000
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
  Ba1   Ba2+   4 e 0.9372(1) 0.7411(3) 0.0405(1) 1.  0 d
  Ba2   Ba2+   4 e 0.9376(1) 0.7420(3) 0.5404(1) 1.  0 d
  Ba3   Ba2+   4 e 0.8089(1) 0.2418(3) 0.1234(1) 1.  0 d
  Ba4   Ba2+   4 e 0.8092(1) 0.2429(3) 0.6239(1) 1.  0 d
  In1   In3+   4 e 0.4295(1) 0.7499(3) 0.3640(1) 1.  0 d
  In2   In3+   4 e 0.4299(1) 0.7490(3) 0.8638(1) 1.  0 d
  In3   In3+   4 e 0.1859(1) 0.7585(3) 0.0409(1) 1.  0 d
  In4   In3+   4 e 0.1866(1) 0.7582(3) 0.5407(1) 1.  0 d
  In5   In3+   4 e 0.5523(1) 0.2502(3) 0.2777(1) 1.  0 d
  In6   In3+   4 e 0.5541(1) 0.2395(3) 0.7771(1) 1.  0 d
  In7   In3+   4 e 0.3074(1) 0.2454(3) 0.3109(1) 1.  0 d
  In8   In3+   4 e 0.3064(1) 0.2458(3) 0.8110(1) 1.  0 d
  O1    O2-    4 e 0.848(1) 0.993(3) 0.396(1) 1.  0 d
  O2    O2-    4 e 0.845(1) 0.992(3) 0.887(1) 1.  0 d
  O3    O2-    4 e 0.565(2) 0.563(4) 0.211(1) 1.  0 d
  O4    O2-    4 e 0.567(1) 0.546(3) 0.709(1) 1.  0 d
  O5    O2-    4 e 0.883(1) 0.458(3) 0.407(1) 1.  0 d
  O6    O2-    4 e 0.884(1) 0.461(3) 0.904(1) 1.  0 d
  O7    O2-    4 e 0.766(1) 0.514(3) 0.005(1) 1.  0 d
  O8    O2-    4 e 0.765(2) 0.512(4) 0.504(1) 1.  0 d
  O9    O2-    4 e 0.982(1) 0.418(3) 0.183(1) 1.  0 d
  O10   O2-    4 e 0.982(1) 0.427(3) 0.684(1) 1.  0 d
  O11   O2-    4 e 0.055(1) 0.800(3) 0.452(1) 1.  0 d
  O12   O2-    4 e 0.052(1) 0.803(3) 0.956(1) 1.  0 d
  O13   O2-    4 e 0.196(1) 0.400(3) 0.230(1) 1.  0 d
  O14   O2-    4 e 0.188(2) 0.400(3) 0.736(1) 1.  0 d
  O15   O2-    4 e 0.181(1) 0.202(3) 0.359(1) 1.  0 d
  O16   O2-    4 e 0.181(1) 0.208(3) 0.859(1) 1.  0 d
_refine_ls_R_factor_all            0.11
_cod_database_code 2002441