#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2002564.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_2002564
_chemical_name_systematic          'Barium platinum thulium oxide (8/4/3/17.5)'
_chemical_formula_structural       'Ba8 Pt4 Tm3 O17.5'
_chemical_formula_sum              'Ba8 O17.5 Pt4 Tm3'
_publ_section_title
;
Neue Verbindungen zum Ba8 Pt4 Y3 O17.5-Typ. Ba8 Pt4 Ln3 O17.5 (Ln= Er,
Yb, Tm)
;
loop_
_publ_author_name
  'Gutau, W'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    584
_journal_year                      1990
_journal_page_first                7
_journal_page_last                 11
_cell_length_a                     8.3296(7)
_cell_length_b                     8.3296(7)
_cell_length_c                     8.3296(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       577.9
_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
  Pt2+   2.000
  Pt4+   4.000
  Tm3+   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+   8 g 0.2419(2) 0.2419(2) 0.2419(2) 1.  0 d
  Pt1   Pt2+   3 c 0.5 0.5 0. 1.  0 d
  Pt2   Pt4+   1 a 0. 0. 0. 1.  0 d
  Tm1   Tm3+   3 d 0.5 0. 0. 1.  0 d
  O1    O2-   12 h 0.260(2) 0.5 0. 0.972  0 d
  O2    O2-    6 e 0. 0. 0.237(4) 0.972  0 d
_refine_ls_R_factor_all            0.048