The material structure described by Ba2MgMnO4 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a linear geometry to two equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Mg(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ba2MgMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.988
_cell_length_b   10.572
_cell_length_c   9.814
_cell_angle_alpha   157.529
_cell_angle_beta   155.686
_cell_angle_gamma   32.671
_symmetry_Int_Tables_number   1
_cell_volume   146.764
_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  0.292  0.498  1.000  1.0
  Ba  Ba1  1  0.708  0.502  0.000  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.283  0.007  0.000  1.0
  O  O6  1  0.717  0.993  1.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Ba2MgMnO4 crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded in a linear geometry to two equivalent O(2) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Ba(1), one Mg(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Ba2MgMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.988
_cell_length_b   10.572
_cell_length_c   9.814
_cell_angle_alpha   157.529
_cell_angle_beta   155.686
_cell_angle_gamma   32.671
_symmetry_Int_Tables_number   1
_cell_volume   146.764
_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  0.292  0.498  1.000  1.0
  Ba  Ba1  1  0.708  0.502  0.000  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.283  0.007  0.000  1.0
  O  O6  1  0.717  0.993  1.000  1.0
  O  O7  1  0.000  0.500  0.500  1.0
[/CIF]
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