data_2002650
_chemical_name_systematic
;
Tribarium erbium manganese(IV) manganese(V) oxide
;
_chemical_formula_structural       'Ba3 Er (Mn2 O9)'
_chemical_formula_sum              'Ba3 Er Mn2 O9'
_publ_section_title
;
Zur Kenntnis eines Barium-Lanthanoid-Oxomanganats(IV,V): Ba3 Er Mn2 O9
;
loop_
_publ_author_name
  'Rabbow, Ch'
  'Mueller-Buschbaum, Hk'
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie,
Organische Chemie (42,1987-)
;
_journal_volume                    49
_journal_year                      1994
_journal_page_first                1277
_journal_page_last                 1281
_cell_length_a                     5.823(1)
_cell_length_b                     10.099(1)
_cell_length_c                     14.409(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       847.3
_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
  Er3+   3.000
  Ba2+   2.000
  Mn4+   4.500
  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
  Er1   Er3+   4 a 0. 0.9991(1) 0.0082(1) 1.  0 d
  Ba1   Ba2+   4 a 0. 0.9997(1) 0.7584(1) 1.  0 d
  Ba2   Ba2+   4 a 0. 0.3322(1) 0.9194(1) 1.  0 d
  Ba3   Ba2+   4 a 0. 0.6656(1) 0.0978(1) 1.  0 d
  Mn1   Mn4+   4 a 0. 0.6654(1) 0.8472(1) 1.  0 d
  Mn2   Mn4+   4 a 0. 0.3327(1) 0.1502(1) 1.  0 d
  O1    O2-    4 a 0. 0.8223(1) 0.9196(3) 1.  0 d
  O2    O2-    4 a 0. 0.1727(5) 0.1032(4) 1.  0 d
  O3    O2-    8 b 0.7503(7) 0.5849(3) 0.9153(2) 1.  0 d
  O4    O2-    8 b 0.2260(5) 0.4098(2) 0.0973(2) 1.  0 d
  O5    O2-    8 b 0.7806(5) 0.7388(3) 0.7512(3) 1.  0 d
  O6    O2-    4 a 0. 0.5235(4) 0.7545(6) 1.  0 d
_refine_ls_R_factor_all            0.052