The material structure described by Ba2MgMnO4 crystallizes in the tetragonal I-4m2 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded to four equivalent O(2) atoms to form corner-sharing MgO4 tetrahedra. Mn(1) is bonded to four equivalent O(1) atoms to form corner-sharing MnO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Mn(1) atoms to form corner-sharing OBa2Mn2 tetrahedra. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2MgMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.593
_cell_length_b   10.594
_cell_length_c   10.594
_cell_angle_alpha   160.270
_cell_angle_beta   160.282
_cell_angle_gamma   28.036
_symmetry_Int_Tables_number   1
_cell_volume   135.358
_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  0.369  0.369  1.000  1.0
  Ba  Ba1  1  0.631  0.631  0.000  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Mn  Mn3  1  0.000  1.000  0.000  1.0
  O  O4  1  0.452  0.952  0.500  1.0
  O  O5  1  0.198  0.198  0.000  1.0
  O  O6  1  0.802  0.802  0.000  1.0
  O  O7  1  0.048  0.548  0.500  1.0
[/CIF]
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The material structure described by Ba2MgMnO4 crystallizes in the tetragonal I-4m2 space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. Mg(1) is bonded to four equivalent O(2) atoms to form corner-sharing MgO4 tetrahedra. Mn(1) is bonded to four equivalent O(1) atoms to form corner-sharing MnO4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and two equivalent Mn(1) atoms to form corner-sharing OBa2Mn2 tetrahedra. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to four equivalent Ba(1) and two equivalent Mg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2MgMnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.593
_cell_length_b   10.594
_cell_length_c   10.594
_cell_angle_alpha   160.270
_cell_angle_beta   160.282
_cell_angle_gamma   28.036
_symmetry_Int_Tables_number   1
_cell_volume   135.358
_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  0.369  0.369  1.000  1.0
  Ba  Ba1  1  0.631  0.631  0.000  1.0
  Mg  Mg2  1  0.250  0.750  0.500  1.0
  Mn  Mn3  1  0.000  1.000  0.000  1.0
  O  O4  1  0.452  0.952  0.500  1.0
  O  O5  1  0.198  0.198  0.000  1.0
  O  O6  1  0.802  0.802  0.000  1.0
  O  O7  1  0.048  0.548  0.500  1.0
[/CIF]
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