data_2002724
_chemical_name_systematic          'Strontium nickel(IV) oxide (12/7.5/27)'
_chemical_formula_structural       'Sr12 Ni7.5 O27'
_chemical_formula_sum              'Ni7.5 O27 Sr12'
_publ_section_title
;
Zur Kenntnis eines Strontium-Oxoniccolats(IV): Sr12 Ni7.5 O27
;
loop_
_publ_author_name
  'Strunk, M'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_volume                    209
_journal_year                      1994
_journal_page_first                189
_journal_page_last                 192
_cell_length_a                     9.474(4)
_cell_length_b                     9.474(4)
_cell_length_c                     7.802(7)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       606.5
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 3 2 1'
_symmetry_Int_Tables_number        150
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Ni4+   4.000
  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
  Sr1   Sr2+   6 g 0.0262(6) 0.6956(6) 0.2545(6) 1.  0 d
  Sr2   Sr2+   3 f 0.3544(8) 0. 0.5 1.  0 d
  Sr3   Sr2+   3 e 0.3269(7) 0. 0. 1.  0 d
  Ni1   Ni4+   1 b 0. 0. 0.5 0.5  0 d
  Ni2   Ni4+   2 d 0.3333 0.6667 0.3902(10) 1.  0 d
  Ni3   Ni4+   2 d 0.3333 0.6667 0.0782(9) 1.  0 d
  Ni4   Ni4+   2 d 0.3333 0.6667 0.7477(12) 0.5  0 d
  Ni5   Ni4+   2 c 0. 0. 0.1709(10) 1.  0 d
  O1    O2-    6 g 0.485(1) 0.666(1) 0.216(1) 1.  0 d
  O2    O2-    6 g 0.681(1) 0.183(1) 0.483(1) 1.  0 d
  O3    O2-    3 e 0.845(1) 0. 0. 1.  0 d
  O4    O2-    6 g 0.671(1) 0.184(1) 0.058(1) 1.  0 d
  O5    O2-    6 g 0.992(1) 0.152(1) 0.310(1) 1.  0 d
_refine_ls_R_factor_all            0.072