The material described by Mg2Mn2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OMg2Mn2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Mn(2) atoms to form corner-sharing OMg2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Mg2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.041
_cell_length_b   8.041
_cell_length_c   8.041
_cell_angle_alpha   142.218
_cell_angle_beta   141.455
_cell_angle_gamma   55.078
_symmetry_Int_Tables_number   1
_cell_volume   197.071
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.414  0.876  0.532  1.0
  Mg  Mg1  1  0.657  0.124  0.538  1.0
  Mg  Mg2  1  0.914  0.381  0.538  1.0
  Mg  Mg3  1  0.157  0.619  0.532  1.0
  Mn  Mn4  1  0.976  0.000  0.976  1.0
  Mn  Mn5  1  0.476  0.500  0.976  1.0
  Mn  Mn6  1  0.803  0.770  0.073  1.0
  Mn  Mn7  1  0.303  0.230  0.034  1.0
  O  O8  1  0.777  0.779  0.464  1.0
  O  O9  1  0.685  0.221  0.998  1.0
  O  O10  1  0.277  0.813  0.998  1.0
  O  O11  1  0.185  0.187  0.464  1.0
  O  O12  1  0.791  0.741  0.784  1.0
  O  O13  1  0.043  0.259  0.050  1.0
  O  O14  1  0.291  0.507  0.050  1.0
  O  O15  1  0.543  0.493  0.784  1.0
  O  O16  1  0.190  0.848  0.537  1.0
  O  O17  1  0.690  0.152  0.342  1.0
[/CIF]
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The material described by Mg2Mn2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OMg2Mn2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Mn(2) atoms to form corner-sharing OMg2Mn2 tetrahedra. is represented by the CIF card [CIF]
data_Mg2Mn2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.041
_cell_length_b   8.041
_cell_length_c   8.041
_cell_angle_alpha   142.218
_cell_angle_beta   141.455
_cell_angle_gamma   55.078
_symmetry_Int_Tables_number   1
_cell_volume   197.071
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.414  0.876  0.532  1.0
  Mg  Mg1  1  0.657  0.124  0.538  1.0
  Mg  Mg2  1  0.914  0.381  0.538  1.0
  Mg  Mg3  1  0.157  0.619  0.532  1.0
  Mn  Mn4  1  0.976  0.000  0.976  1.0
  Mn  Mn5  1  0.476  0.500  0.976  1.0
  Mn  Mn6  1  0.803  0.770  0.073  1.0
  Mn  Mn7  1  0.303  0.230  0.034  1.0
  O  O8  1  0.777  0.779  0.464  1.0
  O  O9  1  0.685  0.221  0.998  1.0
  O  O10  1  0.277  0.813  0.998  1.0
  O  O11  1  0.185  0.187  0.464  1.0
  O  O12  1  0.791  0.741  0.784  1.0
  O  O13  1  0.043  0.259  0.050  1.0
  O  O14  1  0.291  0.507  0.050  1.0
  O  O15  1  0.543  0.493  0.784  1.0
  O  O16  1  0.190  0.848  0.537  1.0
  O  O17  1  0.690  0.152  0.342  1.0
[/CIF]
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