data_2002878
_chemical_name_systematic
;
Tetrabarium potassium tetraoxo-acetylenido-aurate(III)
;
_chemical_formula_structural       'Ba4 K (Au O4 (C2)2)'
_chemical_formula_sum              'Au Ba4 K O4'
_publ_section_title
;
Zur Kenntnis des ersten Barium-Kalium-Oxo-AcetylenidoAurats(III): K Ba4
Au O4 (C2)2
;
loop_
_publ_author_name
  'Schrandt, O'
  'Mueller-Buschbaum, Hk'
_journal_name_full                 'Journal of Alloys Compd.'
_journal_volume                    206
_journal_year                      1994
_journal_page_first                259
_journal_page_last                 262
_cell_length_a                     5.9366(31)
_cell_length_b                     5.9366(31)
_cell_length_c                     15.2423(77)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       537.2
_cell_formula_units_Z              2
_symmetry_space_group_name_H-M     'I 4/m m m'
_symmetry_Int_Tables_number        139
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '-x,y,z'
  'x,-y,z'
  '-y,x,z'
  'y,-x,z'
  'y,x,z'
  '-y,-x,z'
  '-x,-y,-z'
  'x,y,-z'
  'x,-y,-z'
  '-x,y,-z'
  'y,-x,-z'
  '-y,x,-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-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+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+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-y,1/2-x,1/2-z'
  '1/2+y,1/2+x,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Au3+   3.000
  K1+    1.000
  Ba2+   2.000
  C1-   -1.000
  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
  Au1   Au3+   2 a 0. 0. 0. 1.  0 d
  K2    K1+    2 b 0. 0. 0.5 1.  0 d
  Ba1   Ba2+   8 g 0. 0.5 0.1177(1) 1.  0 d
  C1    C1-    4 e 0. 0. 0.261(1) 1.  0 d
  C2    C1-    4 e 0. 0. 0.344(1) 1.  0 d
  O1    O2-    8 h 0.237(1) 0.237(1) 0. 1.  0 d
_refine_ls_R_factor_all            0.043