#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/26/2002691.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_2002691
_chemical_name_systematic
;
Tribarium diplatinum diplatinum(V) mercury oxide
;
_chemical_formula_structural       'Ba3 Pt4 Hg O11'
_chemical_formula_sum              'Ba3 Hg O11 Pt4'
_publ_section_title
;
Ein Beitrag ueber Ba3 Pt4 Hg O11: das erste Erdalkalimetall-
Oxoplatinat(II,V)/Oxomercurat
;
loop_
_publ_author_name
  'Hansen, Th'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    620
_journal_year                      1994
_journal_page_first                1471
_journal_page_last                 1475
_cell_length_a                     6.021(1)
_cell_length_b                     6.021(1)
_cell_length_c                     17.37398(300)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       545.5
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'P -6 2 c'
_symmetry_Int_Tables_number        190
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'x,y,1/2-z'
  '-y,x-y,1/2-z'
  'y-x,-x,1/2-z'
  'y,x,1/2+z'
  'x-y,-y,1/2+z'
  '-x,y-x,1/2+z'
  'y,x,-z'
  'x-y,-y,-z'
  '-x,y-x,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Hg2+   2.000
  Pt2+   2.000
  Pt5+   5.000
  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+   2 d 0.3333 0.6667 0.75 1.  0 d
  Ba2   Ba2+   4 e 0. 0. 0.63226(1) 1.  0 d
  Hg1   Hg2+   6 g 0.4996(2) 0. 0.5 0.333  0 d
  Pt1   Pt2+   6 g 0.4996(2) 0. 0.5 0.667  0 d
  Pt2   Pt5+   4 f 0.6667 0.3333 0.672150(8) 1.  0 d
  O1    O2-    6 h 0.3593(4) 0.182(2) 0.75 1.  0 d
  O2    O2-   12 i 0.5136(4) 0.5081(4) 0.61691(8) 1.  0 d
  O3    O2-   12 i 0.2527(8) 0.143(1) 0.5028(3) 0.333  0 d
loop_
_atom_site_aniso_label
_atom_site_aniso_B_11
_atom_site_aniso_B_12
_atom_site_aniso_B_13
_atom_site_aniso_B_22
_atom_site_aniso_B_23
_atom_site_aniso_B_33
  Ba1   0.700(7) 0.351(3) 0. 0.700(7) 0. 1.195(10)
  Ba2   1.097(5) 0.549(2) 0. 1.097(5) 0. 0.601(6)
  Hg1   0.831(2) 0.4153(8) 0. 0.831(2) 0. 0.442(2)
  Pt1   0.831(2) 0.4153(8) 0. 0.831(2) 0. 0.442(2)
  Pt2   0.769(3) 0.385(2) 0. 0.769(3) 0. 0.364(4)
_refine_ls_R_factor_all            0.05
_cod_database_code 2002691