#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/24/2002495.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_2002495
_chemical_name_systematic          'Tetrabarium triiridium(IV) oxide'
_chemical_formula_structural       'Ba4 Ir3 O10'
_chemical_formula_sum              'Ba4 Ir3 O10'
_publ_section_title                'Zur Kenntnis von Ba4 Ir3 O10'
loop_
_publ_author_name
  'Wilkens, J'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    592
_journal_year                      1991
_journal_page_first                79
_journal_page_last                 83
_cell_length_a                     5.788(2)
_cell_length_b                     13.222(4)
_cell_length_c                     7.242(2)
_cell_angle_alpha                  90
_cell_angle_beta                   112.98(2)
_cell_angle_gamma                  90
_cell_volume                       510.2
_cell_formula_units_Z              2
_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
  Ir4+   4.000
  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 0.9695(3) 0.6387(1) 0.9259(2) 1.  0 d
  Ba2   Ba2+   4 e 0.2640(3) 0.6131(1) 0.5198(2) 1.  0 d
  Ir1   Ir4+   2 a 0. 0. 0. 1.  0 d
  Ir2   Ir4+   4 e 0.1339(2) 0.8505(1) 0.2496(1) 1.  0 d
  O1    O2-    4 e 0.0179(28) 0.1500(13) 0.0647(21) 1.  0 d
  O2    O2-    4 e 0.6665(30) 0.0291(14) 0.7829(23) 1.  0 d
  O3    O2-    4 e 0.1244(32) 0.0382(15) 0.7829(23) 1.  0 d
  O4    O2-    4 e 0.7278(35) 0.1531(17) 0.4625(26) 1.  0 d
  O5    O2-    4 e 0.5861(37) 0.2339(17) 0.7638(27) 1.  0 d
_refine_ls_R_factor_all            0.0485
_cod_database_code 2002495