data_2002640
_chemical_name_systematic          'Pentabarium octaerbium tetrazincate'
_chemical_formula_structural       'Ba5 Er8 (Zn4 O21)'
_chemical_formula_sum              'Ba5 Er8 O21 Zn4'
_publ_section_title
;
Zur Kristallstruktur von Erdalkalimetall-Lanthanoid-Oxozinkaten: (I)Ba2
Tm2 Zn8 O13,(II)Ba2 Y2 Zn8 O13,(III)Ba Er2 Zn O5 und (IV)Ba5 Er8 Zn4
O21
;
loop_
_publ_author_name
  'Rabbow, Ch'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_volume                    206
_journal_year                      1994
_journal_page_first                163
_journal_page_last                 167
_cell_length_a                     13.702(2)
_cell_length_b                     13.702(2)
_cell_length_c                     5.684(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1067.1
_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
  Er3+   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
  Er1   Er3+   8 h 0.2481(1) 0.1679(1) 0. 1.  0 d
  Er2   Er3+   8 h 0.4118(1) 0.3577(1) 0. 1.  0 d
  Ba1   Ba2+   2 a 0. 0. 0. 1.  0 d
  Ba2   Ba2+   8 h 0.5351(1) 0.1399(1) 0. 1.  0 d
  Zn1   Zn2+   8 h 0.0396(1) 0.2507(1) 0. 1.  0 d
  O1    O2-    2 b 0.5 0.5 0. 1.  0 d
  O2    O2-    8 h 0.6246(4) 0.9637(4) 0. 1.  0 d
  O3    O2-   16 i 0.6793(3) 0.5450(3) 0.7462(7) 1.  0 d
  O4    O2-   16 i 0.3545(2) 0.2420(2) 0.2531(6) 1.  0 d
_refine_ls_R_factor_all            0.084