The structure described by Ba3(MnO4)2 crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra and edges with six equivalent Mn(1)O4 tetrahedra. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1) and nine equivalent O(2) atoms. Mn(1) is bonded to one O(1) and three equivalent O(2) atoms to form MnO4 tetrahedra that share edges with three equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), three equivalent Ba(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), three equivalent Ba(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Mn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.730
_cell_length_b   5.730
_cell_length_c   7.920
_cell_angle_alpha   90.003
_cell_angle_beta   111.205
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   204.622
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  1.000  1.000  1.000  1.0
  Ba  Ba1  1  0.586  0.793  0.379  1.0
  Ba  Ba2  1  0.414  0.207  0.621  1.0
  Mn  Mn3  1  0.185  0.593  0.778  1.0
  Mn  Mn4  1  0.815  0.407  0.222  1.0
  O  O5  1  0.341  0.670  0.011  1.0
  O  O6  1  0.659  0.330  0.989  1.0
  O  O7  1  0.548  0.274  0.304  1.0
  O  O8  1  0.030  0.756  0.304  1.0
  O  O9  1  0.030  0.274  0.304  1.0
  O  O10  1  0.970  0.726  0.696  1.0
  O  O11  1  0.970  0.244  0.696  1.0
  O  O12  1  0.452  0.726  0.696  1.0
[/CIF]
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The structure described by Ba3(MnO4)2 crystallizes in the trigonal R-3m space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form distorted BaO12 cuboctahedra that share edges with six equivalent Ba(1)O12 cuboctahedra and edges with six equivalent Mn(1)O4 tetrahedra. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1) and nine equivalent O(2) atoms. Mn(1) is bonded to one O(1) and three equivalent O(2) atoms to form MnO4 tetrahedra that share edges with three equivalent Ba(1)O12 cuboctahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(2), three equivalent Ba(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), three equivalent Ba(2), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3Mn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.730
_cell_length_b   5.730
_cell_length_c   7.920
_cell_angle_alpha   90.003
_cell_angle_beta   111.205
_cell_angle_gamma   119.993
_symmetry_Int_Tables_number   1
_cell_volume   204.622
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  1.000  1.000  1.000  1.0
  Ba  Ba1  1  0.586  0.793  0.379  1.0
  Ba  Ba2  1  0.414  0.207  0.621  1.0
  Mn  Mn3  1  0.185  0.593  0.778  1.0
  Mn  Mn4  1  0.815  0.407  0.222  1.0
  O  O5  1  0.341  0.670  0.011  1.0
  O  O6  1  0.659  0.330  0.989  1.0
  O  O7  1  0.548  0.274  0.304  1.0
  O  O8  1  0.030  0.756  0.304  1.0
  O  O9  1  0.030  0.274  0.304  1.0
  O  O10  1  0.970  0.726  0.696  1.0
  O  O11  1  0.970  0.244  0.696  1.0
  O  O12  1  0.452  0.726  0.696  1.0
[/CIF]
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