#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002434.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_2002434
_chemical_name_systematic
;
Barium platinum(IV) platinum yttrium oxide (8/3/1/3/17.5)
;
_chemical_formula_structural       'Ba8 Pt4 Y3 O17.5'
_chemical_formula_sum              'Ba8 O17.5 Pt4 Y3'
_publ_section_title
;
Isolierte planare Pt O4-Baugruppen in Ba8 Pt4 Y3 O17.5
;
loop_
_publ_author_name
  'Gutau, W'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
European Journal of Solid State Inorganic Chemistry
;
_journal_volume                    25
_journal_year                      1988
_journal_page_first                231
_journal_page_last                 234
_cell_length_a                     8.3542(4)
_cell_length_b                     8.3542(4)
_cell_length_c                     8.3542(4)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       583.1
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P m -3 m'
_symmetry_Int_Tables_number        221
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,z,y'
  'y,x,z'
  'z,y,x'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  'x,-z,-y'
  'y,-x,-z'
  'z,-y,-x'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,z,-y'
  '-y,x,-z'
  '-z,y,-x'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
  '-x,-z,y'
  '-y,-x,z'
  '-z,-y,x'
  '-x,-y,-z'
  '-y,-z,-x'
  '-z,-x,-y'
  '-x,-z,-y'
  '-y,-x,-z'
  '-z,-y,-x'
  '-x,y,z'
  '-y,z,x'
  '-z,x,y'
  '-x,z,y'
  '-y,x,z'
  '-z,y,x'
  'x,-y,z'
  'y,-z,x'
  'z,-x,y'
  'x,-z,y'
  'y,-x,z'
  'z,-y,x'
  'x,y,-z'
  'y,z,-x'
  'z,x,-y'
  'x,z,-y'
  'y,x,-z'
  'z,y,-x'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Pt4+   4.000
  Pt2+   2.000
  Y2+    1.660
  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+   8 g 0.2415(1) 0.2415(1) 0.2415(1) 1.  0 d
  Pt1   Pt4+   3 c 0.5 0.5 0. 1.  0 d
  Pt2   Pt2+   1 a 0. 0. 0. 1.  0 d
  Y1    Y2+    3 d 0.5 0. 0. 1.  0 d
  O1    O2-   12 h 0. 0.5 0.262(1) 0.958  0 d
  O2    O2-    6 e 0.263(3) 0. 0. 1.  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   1.07(1) 0.008(20) 0.008(20) 1.07(1) 0.008(20) 1.07(1)
  Pt1   0.03(1) 0. 0. 0.088(6) 0. 0.088(6)
  Pt2   0.052(2) 0. 0. 0.052(2) 0. 0.052(2)
  Y1    0.33(14) 0. 0. 0.74(9) 0. 0.74(9)
  O1    1.96(48) 0. 0. 0.96(29) 0. 0.69(22)
  O2    0.62(35) 0. 0. 1.26(32) 0. 1.26(32)
_refine_ls_R_factor_all            0.055