The crystal structure described by Ba3MgNb2MnO9 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Mg(1), one O(1), one O(2), one O(3), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(9), and two equivalent O(8) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one Ba(2), one O(4), one O(6), one O(7), and one O(9) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with three equivalent Nb(2)O6 octahedra and corners with two equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra and corners with three equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 7°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted MnO5 square pyramids that share corners with two equivalent Nb(1)O6 octahedra and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Nb(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Mn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Nb(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Nb(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Nb(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), one Nb(1), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Nb(1), and one Nb(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), one Nb(1), and one Nb(2) atom. is represented by the CIF card [CIF]
data_Ba3MgMnNb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.280
_cell_length_b   5.908
_cell_length_c   7.451
_cell_angle_alpha   89.935
_cell_angle_beta   85.444
_cell_angle_gamma   118.051
_symmetry_Int_Tables_number   1
_cell_volume   242.956
_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  0.362  0.682  0.656  1.0
  Ba  Ba1  1  0.766  0.385  0.385  1.0
  Ba  Ba2  1  0.889  0.945  0.991  1.0
  Mg  Mg3  1  0.336  0.168  0.168  1.0
  Mn  Mn4  1  0.066  0.034  0.535  1.0
  Nb  Nb5  1  0.307  0.653  0.156  1.0
  Nb  Nb6  1  0.681  0.341  0.830  1.0
  O  O7  1  0.400  0.200  0.660  1.0
  O  O8  1  0.852  0.178  0.682  1.0
  O  O9  1  0.851  0.674  0.682  1.0
  O  O10  1  0.159  0.843  0.314  1.0
  O  O11  1  0.588  0.791  0.304  1.0
  O  O12  1  0.156  0.313  0.313  1.0
  O  O13  1  0.473  0.997  0.994  1.0
  O  O14  1  0.976  0.489  0.005  1.0
  O  O15  1  0.473  0.475  0.993  1.0
[/CIF]
.
The crystal structure described by Ba3MgNb2MnO9 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one Mg(1), one O(1), one O(2), one O(3), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. In the third Ba site, Ba(3) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one O(9), and two equivalent O(8) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one Ba(2), one O(4), one O(6), one O(7), and one O(9) atom. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with three equivalent Nb(2)O6 octahedra and corners with two equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 7°. In the second Nb site, Nb(2) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form NbO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra and corners with three equivalent Mn(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 7°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted MnO5 square pyramids that share corners with two equivalent Nb(1)O6 octahedra and corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(2), two equivalent Ba(1), one Nb(2), and one Mn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Mn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(2), one Ba(3), two equivalent Ba(1), one Nb(2), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Nb(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), and one Nb(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), one Nb(1), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), one Nb(1), and one Nb(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one Nb(1), and one Nb(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(3), one Mg(1), one Nb(1), and one Nb(2) atom. is represented by the CIF card [CIF]
data_Ba3MgMnNb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.280
_cell_length_b   5.908
_cell_length_c   7.451
_cell_angle_alpha   89.935
_cell_angle_beta   85.444
_cell_angle_gamma   118.051
_symmetry_Int_Tables_number   1
_cell_volume   242.956
_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  0.362  0.682  0.656  1.0
  Ba  Ba1  1  0.766  0.385  0.385  1.0
  Ba  Ba2  1  0.889  0.945  0.991  1.0
  Mg  Mg3  1  0.336  0.168  0.168  1.0
  Mn  Mn4  1  0.066  0.034  0.535  1.0
  Nb  Nb5  1  0.307  0.653  0.156  1.0
  Nb  Nb6  1  0.681  0.341  0.830  1.0
  O  O7  1  0.400  0.200  0.660  1.0
  O  O8  1  0.852  0.178  0.682  1.0
  O  O9  1  0.851  0.674  0.682  1.0
  O  O10  1  0.159  0.843  0.314  1.0
  O  O11  1  0.588  0.791  0.304  1.0
  O  O12  1  0.156  0.313  0.313  1.0
  O  O13  1  0.473  0.997  0.994  1.0
  O  O14  1  0.976  0.489  0.005  1.0
  O  O15  1  0.473  0.475  0.993  1.0
[/CIF]
.