data_2002362
_chemical_name_systematic          'Barium nickel indium oxide (1/2/8/15)'
_chemical_formula_structural       'Ba Ni2 In8 O15'
_chemical_formula_sum              'Ba In8 Ni2 O15'
_publ_section_title
;
Eine neue metastabile Verbindung mit eigenem Strukturtyp: Ba Ni2 In8 O15
;
loop_
_publ_author_name
  'Schiffler, St'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    542
_journal_year                      1986
_journal_page_first                25
_journal_page_last                 30
_cell_length_a                     12.2811(46)
_cell_length_b                     11.0214(19)
_cell_length_c                     9.9103(21)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1341.4
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C m c a'
_symmetry_Int_Tables_number        64
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,-z'
  'x,1/2-y,1/2+z'
  'x,1/2+y,1/2-z'
  '-x,-y,-z'
  '-x,y,z'
  '-x,1/2+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,-y,1/2+z'
  '1/2+x,y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,z'
  '1/2-x,y,1/2-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  In3+   3.000
  Ni2+   2.000
  Ba2+   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
  In1   In3+   8 f 0. 0.3119(6) 0.1385(8) 1.  0 d
  In2   In3+  16 g 0.3692(4) 0.0830(4) 0.1482(4) 1.  0 d
  In3   In3+  16 g 0.2620(5) 0.1624(6) 0.6128(6) 0.5  0 d
  Ni1   Ni2+  16 g 0.2620(5) 0.1624(6) 0.6128(6) 0.5  0 d
  Ba1   Ba2+   4 a 0. 0. 0. 1.  0 d
  O1    O2-    8 d 0.760(6) 0.5 0.5 1.  0 d
  O2    O2-    8 e 0.25 0.186(5) 0.25 1.  0 d
  O3    O2-   16 g 0.858(5) 0.911(6) 0.256(7) 1.  0 d
  O4    O2-    8 f 0. 0.637(6) 0.272(6) 1.  0 d
  O5    O2-   16 g 0.652(6) 0.277(6) 0.505(8) 1.  0 d
  O6    O2-    4 b 0.5 0.5 0.5 1.  0 d
_refine_ls_R_factor_all            0.088