data_2002529
_chemical_name_systematic          'Tristrontium copper hexaoxoiridate(IV)'
_chemical_formula_structural       'Sr3 Ir (Cu O6)'
_chemical_formula_sum              'Cu Ir O6 Sr3'
_publ_section_title
;
Ein neuer Strukturtyp beim ersten Erdalkalimetall-Oxoiridat-Cuprat: Sr3
Ir Cu O6
;
loop_
_publ_author_name
  'Neubacher, M'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_volume                    607
_journal_year                      1992
_journal_page_first                124
_journal_page_last                 127
_cell_length_a                     9.300(6)
_cell_length_b                     9.717(6)
_cell_length_c                     6.697(5)
_cell_angle_alpha                  90
_cell_angle_beta                   92.15(3)
_cell_angle_gamma                  90
_cell_volume                       604.8
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sr2+   2.000
  Ir4+   4.000
  Cu2+   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
  Sr1   Sr2+   4 e 0.5 0.8952(3) 0.25 1.  0 d
  Sr2   Sr2+   8 f 0.6851(2) 0.5737(2) 0.3799(3) 1.  0 d
  Ir1   Ir4+   4 c 0.75 0.75 0. 1.  0 d
  Cu1   Cu2+   4 e 0.5 0.6975(5) 0.75 1.  0 d
  O1    O2-    8 f 0.944(2) 0.161(2) 0.461(2) 1.  0 d
  O2    O2-    8 f 0.290(2) 0.685(2) 0.786(2) 1.  0 d
  O3    O2-    8 f 0.358(2) 0.925(2) 0.573(2) 1.  0 d
_refine_ls_R_factor_all            0.063