data_2002858
_chemical_name_systematic
;
Barium ruthenium manganese oxide (4/1.1/1.9/10)
;
_chemical_formula_structural       'Ba4 Ru1.075 Mn1.925 O10'
_chemical_formula_sum              'Ba4 Mn1.925 O10 Ru1.075'
_publ_section_title
;
Ein neues Oxoruthenat(IV): Ba4 Ru1.1 Mn1.9 O10 mit statistischer
Besetzung der M4+-Metallpositionen
;
loop_
_publ_author_name
  'Neubacher, M'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften
(109,1978-)
;
_journal_volume                    121
_journal_year                      1990
_journal_page_first                635
_journal_page_last                 640
_cell_length_a                     5.735(3)
_cell_length_b                     13.148(4)
_cell_length_c                     12.855(8)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       969.3
_cell_formula_units_Z              4
_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
  Ba2+   2.000
  Ru4+   4.000
  Mn4+   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
  Ba1   Ba2+   4 a 0. 0.0074(6) 0.892(1) 1.  0 d
  Ba2   Ba2+   4 a 0. 0.7147(5) 0.857(1) 1.  0 d
  Ba3   Ba2+   4 a 0. 0.2150(8) 0.638(1) 1.  0 d
  Ba4   Ba2+   4 a 0. 0.5075(8) 0.613(1) 1.  0 d
  Ru1   Ru4+   4 a 0. 0.255(10) 0. 0.15  0 d
  Mn1   Mn4+   4 a 0. 0.255(10) 0. 0.85  0 d
  Ru2   Ru4+   4 a 0. 0.8818(9) 0.651(2) 0.325  0 d
  Mn2   Mn4+   4 a 0. 0.8818(9) 0.651(2) 0.675  0 d
  Ru3   Ru4+   4 a 0. 0.3707(8) 0.851(2) 0.6  0 d
  Mn3   Mn4+   4 a 0. 0.3707(8) 0.851(2) 0.4  0 d
  O1    O2-    4 a 0. 0.208(4) 0.860(4) 1.  0 d
  O2    O2-    8 b 0.230(5) 0.156(3) 0.034(3) 1.  0 d
  O3    O2-    8 b 0.261(5) 0.373(2) 0.757(4) 1.  0 d
  O4    O2-    8 b 0.220(4) 0.360(2) 0.965(3) 1.  0 d
  O5    O2-    4 a 0. 0.027(3) 0.641(4) 1.  0 d
  O6    O2-    4 a 0.5 0.009(3) 0.864(4) 1.  0 d
  O7    O2-    4 a 0.5 0.227(2) 0.649(3) 1.  0 d
_refine_ls_R_factor_all            0.061