data_2002745
_chemical_name_systematic
;
Barium ytterbium platinum zink oxide (17/16/4/8/57)
;
_chemical_formula_structural       'Ba17 Yb16 (Pt4 Zn8 O57)'
_chemical_formula_sum              'Ba17 O57 Pt4 Yb16 Zn8'
_publ_section_title
;
Ueber ein Barium - Lanthanoid - Oxozinkat - Platinat(IV): Ba17 Yb16 Zn8
Pt4 O57
;
loop_
_publ_author_name
  'Rabbow, C'
  'Sfreddo, O'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    51
_journal_year                      1996
_journal_page_first                220
_journal_page_last                 224
_cell_length_a                     22.73099(100)
_cell_length_b                     22.73099(100)
_cell_length_c                     5.672(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2930.7
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m'
_symmetry_Int_Tables_number        87
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-y,x,z'
  'y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'y,-x,-z'
  '-y,x,-z'
  '1/2+x,1/2+y,1/2+z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-y,1/2+x,1/2+z'
  '1/2+y,1/2-x,1/2+z'
  '1/2-x,1/2-y,1/2-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2+y,1/2-x,1/2-z'
  '1/2-y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pt4+   4.000
  Yb3+   3.000
  Ba2+   2.000
  Zn2+   2.000
  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
  Pt1   Pt4+   8 h 0.35589(3) 0.08248(3) 0.5 1.  0 d
  Yb1   Yb3+   8 h 0.40055(3) 0.48782(3) 0. 1.  0 d
  Yb2   Yb3+   8 h 0.24854(3) 0.00644(3) 0.5 1.  0 d
  Yb3   Yb3+   8 h 0.44748(3) 0.32801(3) 0.5 1.  0 d
  Yb4   Yb3+   8 h 0.45054(3) 0.17504(3) 0.5 1.  0 d
  Ba1   Ba2+   2 a 0. 0. 0. 1.  0 d
  Ba2   Ba2+   8 h 0.38832(4) -0.22504(4) 0.5 1.  0 d
  Ba3   Ba2+   8 h 0.34344(4) 0.34964(4) 0. 1.  0 d
  Ba4   Ba2+   8 h 0.18961(5) 0.26829(4) 0. 1.  0 d
  Ba5   Ba2+   8 h 0.4424(1) 0.0675(1) 0. 1.  0 d
  Zn1   Zn2+   8 h 0.28913(8) -0.12004(8) -0.5 1.  0 d
  Zn2   Zn2+   8 h 0.36739(8) 0.42481(8) 0.5 1.  0 d
  O1    O2-    2 b 0. 0. 0.5 1.  0 d
  O2    O2-    8 h 0.4437(5) 0.0674(5) 0.5 1.  0 d
  O3    O2-    8 h 0.3411(5) 0.3438(5) 0.5 1.  0 d
  O4    O2-    8 h 0.2682(5) 0.1054(5) 0.5 1.  0 d
  O5    O2-    8 h 0.2613(6) -0.2040(5) -0.5 1.  0 d
  O6    O2-   16 i 0.3260(3) 0.4727(3) 0.2432(17) 1.  0 d
  O7    O2-   16 i 0.3758(3) 0.1434(3) 0.7424(14) 1.  0 d
  O8    O2-   16 i 0.3330(3) 0.0206(3) 0.7411(15) 1.  0 d
  O9    O2-   16 i 0.2468(3) -0.0715(3) -0.2510(16) 1.  0 d
  O10   O2-   16 i 0.4339(3) 0.4109(3) 0.2553(15) 1.  0 d
_refine_ls_R_factor_all            0.066