The material described by BaMgMnO3 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mg(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with four equivalent Mn(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with four equivalent Mn(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Mg(1), and one Mn(1) atom to form distorted OBa4MgMn octahedra that share corners with four equivalent O(1)Ba4MgMn octahedra, corners with six equivalent O(2)Ba2Mg2Mn2 octahedra, edges with four equivalent O(1)Ba4MgMn octahedra, and faces with two equivalent O(2)Ba2Mg2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Mn(1) atoms to form distorted OBa2Mg2Mn2 octahedra that share corners with two equivalent O(2)Ba2Mg2Mn2 octahedra, corners with six equivalent O(1)Ba4MgMn octahedra, edges with two equivalent O(2)Ba2Mg2Mn2 octahedra, and faces with two equivalent O(1)Ba4MgMn octahedra. The corner-sharing octahedral tilt angles range from 10-67°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_BaMgMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.845
_cell_length_b   3.704
_cell_length_c   4.274
_cell_angle_alpha   89.572
_cell_angle_beta   108.592
_cell_angle_gamma   74.765
_symmetry_Int_Tables_number   1
_cell_volume   84.175
_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  0.527  0.638  0.370  1.0
  Mg  Mg1  1  0.156  0.314  0.685  1.0
  Mn  Mn2  1  0.914  0.931  0.064  1.0
  O  O3  1  0.530  0.142  0.866  1.0
  O  O4  1  0.121  0.337  0.168  1.0
  O  O5  1  0.985  0.887  0.597  1.0
[/CIF]
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The material described by BaMgMnO3 crystallizes in the triclinic P1 space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mg(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with four equivalent Mn(1)O5 trigonal bipyramids. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with four equivalent Mn(1)O5 trigonal bipyramids, and edges with four equivalent Mg(1)O5 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ba(1), one Mg(1), and one Mn(1) atom to form distorted OBa4MgMn octahedra that share corners with four equivalent O(1)Ba4MgMn octahedra, corners with six equivalent O(2)Ba2Mg2Mn2 octahedra, edges with four equivalent O(1)Ba4MgMn octahedra, and faces with two equivalent O(2)Ba2Mg2Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-67°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Mn(1) atoms to form distorted OBa2Mg2Mn2 octahedra that share corners with two equivalent O(2)Ba2Mg2Mn2 octahedra, corners with six equivalent O(1)Ba4MgMn octahedra, edges with two equivalent O(2)Ba2Mg2Mn2 octahedra, and faces with two equivalent O(1)Ba4MgMn octahedra. The corner-sharing octahedral tilt angles range from 10-67°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_BaMgMnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.845
_cell_length_b   3.704
_cell_length_c   4.274
_cell_angle_alpha   89.572
_cell_angle_beta   108.592
_cell_angle_gamma   74.765
_symmetry_Int_Tables_number   1
_cell_volume   84.175
_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  0.527  0.638  0.370  1.0
  Mg  Mg1  1  0.156  0.314  0.685  1.0
  Mn  Mn2  1  0.914  0.931  0.064  1.0
  O  O3  1  0.530  0.142  0.866  1.0
  O  O4  1  0.121  0.337  0.168  1.0
  O  O5  1  0.985  0.887  0.597  1.0
[/CIF]
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