The compound described by Ba2MgMn2O6 crystallizes in the monoclinic Pm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(6) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted edge and face-sharing MnO5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Mg(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(2) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Ba2MgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.641
_cell_length_b   6.517
_cell_length_c   5.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   128.966
_symmetry_Int_Tables_number   1
_cell_volume   185.466
_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  0.658  0.320  0.250  1.0
  Ba  Ba1  1  0.220  0.728  0.750  1.0
  Mg  Mg2  1  0.392  0.624  0.250  1.0
  Mn  Mn3  1  0.984  0.021  0.517  1.0
  Mn  Mn4  1  0.984  0.021  0.983  1.0
  O  O5  1  0.822  0.736  0.750  1.0
  O  O6  1  0.234  0.782  0.250  1.0
  O  O7  1  0.747  0.805  0.250  1.0
  O  O8  1  0.261  0.184  0.750  1.0
  O  O9  1  0.201  0.259  0.250  1.0
  O  O10  1  0.830  0.186  0.750  1.0
[/CIF]
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The compound described by Ba2MgMn2O6 crystallizes in the monoclinic Pm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), two equivalent O(2), and two equivalent O(6) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(6) atoms. Mg(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(5) atom. Mn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of distorted edge and face-sharing MnO5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and one Mg(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(2) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one Mg(1), and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Ba2MgMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.641
_cell_length_b   6.517
_cell_length_c   5.511
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   128.966
_symmetry_Int_Tables_number   1
_cell_volume   185.466
_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  0.658  0.320  0.250  1.0
  Ba  Ba1  1  0.220  0.728  0.750  1.0
  Mg  Mg2  1  0.392  0.624  0.250  1.0
  Mn  Mn3  1  0.984  0.021  0.517  1.0
  Mn  Mn4  1  0.984  0.021  0.983  1.0
  O  O5  1  0.822  0.736  0.750  1.0
  O  O6  1  0.234  0.782  0.250  1.0
  O  O7  1  0.747  0.805  0.250  1.0
  O  O8  1  0.261  0.184  0.750  1.0
  O  O9  1  0.201  0.259  0.250  1.0
  O  O10  1  0.830  0.186  0.750  1.0
[/CIF]
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