data_2002638
_chemical_name_systematic          'Dibarium dithulium octazincate'
_chemical_formula_structural       'Ba2 Tm2 (Zn8 O13)'
_chemical_formula_sum              'Ba2 O13 Tm2 Zn8'
_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                     6.262(1)
_cell_length_b                     10.851(2)
_cell_length_c                     10.171(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       691.1
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'C m c 21'
_symmetry_Int_Tables_number        36
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,z'
  '-x,-y,1/2+z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  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
  Tm1   Tm3+   4 a 0. 0.16659(2) 0.18897(2) 1.  0 d
  Ba1   Ba2+   4 a 0. 0.16681(6) 0.56372(6) 1.  0 d
  Zn1   Zn2+   4 a 0.5 0.17034(8) 0.37656(14) 1.  0 d
  Zn2   Zn2+   8 b 0.25494(10) 0.41507(6) 0.37715(9) 1.  0 d
  Zn3   Zn2+   4 a 0.5 0.0003(2) 0.6245(2) 1.  0 d
  O1    O2-    8 b 0.2511(4) 0.2493(3) 0.3143(3) 1.  0 d
  O2    O2-    4 a 0.5 0.5006(4) 0.3136(4) 0.75  0 d
  O3    O2-    4 a 0.5 0.1599(5) 0.5651(5) 0.75  0 d
  O4    O2-    8 b 0.7436(5) 0.9161(2) 0.5631(3) 1.  0 d
  O5    O2-    4 a 0. 0.5011(4) 0.3117(4) 1.  0 d
_refine_ls_R_factor_all            0.069