data_2002816
_chemical_name_systematic
;
Barium tamarium zinc platinum oxide (17/16/8/4/57)
;
_chemical_formula_structural       'Ba17 Tm16 Zn8 Pt4 O57'
_chemical_formula_sum              'Ba17 O57 Pt4 Tm16 Zn8'
_publ_section_title
;
Zur Kristallchemie von Oxozinkat-Platinaten und Oxozinkaten der
Zusammensetzung Ba17 Tm16 Zn8 Pt4 O57 und Ba5 Tm8 Zn4 O21
;
loop_
_publ_author_name
  'Sfreddo, O'
  'Rabbow, C'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    623
_journal_year                      1997
_journal_page_first                699
_journal_page_last                 704
_cell_length_a                     22.758(1)
_cell_length_b                     22.758(1)
_cell_length_c                     5.684(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       2943.9
_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
  Tm3+   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 0.35606(4) 0.08255(4) 0.5 1.  0 d
  Tm1   Tm3+   8 h 0.40055(5) 0.48800(5) 0. 1.  0 d
  Tm2   Tm3+   8 h 0.24885(5) 0.00654(5) 0.5 1.  0 d
  Tm3   Tm3+   8 h 0.44746(5) 0.32779(5) 0.5 1.  0 d
  Tm4   Tm3+   8 h 0.45059(5) 0.17455(5) 0.5 1.  0 d
  Ba1   Ba2+   2 a 0. 0. 0. 1.  0 d
  Ba2   Ba2+   8 h 0.38835(7) 0.77513(7) 0.5 1.  0 d
  Ba3   Ba2+   8 h 0.34318(7) 0.34979(7) 0. 1.  0 d
  Ba4   Ba2+   8 h 0.18956(7) 0.26798(7) 0. 1.  0 d
  Ba5   Ba2+   8 h 0.44236(7) 0.06762(7) 0. 1.  0 d
  Zn1   Zn2+   8 h 0.28880(12) 0.87931(13) 0.5 1.  0 d
  Zn2   Zn2+   8 h 0.36699(12) 0.42431(12) 0.5 1.  0 d
  O1    O2-    2 b 0. 0. 0.5 1.  0 d
  O2    O2-    8 h 0.4461(9) 0.0623(8) 0.5 1.  0 d
  O3    O2-    8 h 0.3390(9) 0.3425(9) 0.5 1.  0 d
  O4    O2-    8 h 0.2681(6) 0.1090(7) 0.5 1.  0 d
  O5    O2-    8 h 0.2629(9) 0.7989(8) 0.5 1.  0 d
  O6    O2-   16 i 0.3234(5) 0.4714(4) 0.2484(23) 1.  0 d
  O7    O2-   16 i 0.3765(5) 0.1438(5) 0.7438(23) 1.  0 d
  O8    O2-   16 i 0.3320(5) 0.0220(5) 0.7462(23) 1.  0 d
  O9    O2-   16 i 0.2469(5) 0.9286(5) 0.7509(25) 1.  0 d
  O10   O2-   16 i 0.4352(6) 0.4093(6) 0.2476(26) 1.  0 d
_refine_ls_R_factor_all            0.2106