The material structure described by MgMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, edges with five equivalent Mn(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-47°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with five equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with five equivalent Mg(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMg3Mn3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OMg3Mn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.073
_cell_length_b   5.333
_cell_length_c   10.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.815
_cell_formula_units_Z   4
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  0.250  0.421  0.622  1.0
  Mg  Mg1  1  0.750  0.579  0.378  1.0
  Mg  Mg2  1  0.750  0.921  0.878  1.0
  Mg  Mg3  1  0.250  0.079  0.122  1.0
  Mn  Mn4  1  0.250  0.081  0.379  1.0
  Mn  Mn5  1  0.250  0.419  0.879  1.0
  Mn  Mn6  1  0.750  0.581  0.121  1.0
  Mn  Mn7  1  0.750  0.919  0.621  1.0
  O  O8  1  0.250  0.412  0.254  1.0
  O  O9  1  0.750  0.588  0.746  1.0
  O  O10  1  0.750  0.912  0.246  1.0
  O  O11  1  0.250  0.088  0.754  1.0
  O  O12  1  0.250  0.765  0.994  1.0
  O  O13  1  0.750  0.235  0.006  1.0
  O  O14  1  0.250  0.735  0.494  1.0
  O  O15  1  0.750  0.265  0.506  1.0
[/CIF]
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The material structure described by MgMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, edges with five equivalent Mn(1)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-47°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with five equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with five equivalent Mg(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-47°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMg3Mn3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the second O site, O(2) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of edge and corner-sharing OMg3Mn3 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.073
_cell_length_b   5.333
_cell_length_c   10.424
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   170.815
_cell_formula_units_Z   4
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  0.250  0.421  0.622  1.0
  Mg  Mg1  1  0.750  0.579  0.378  1.0
  Mg  Mg2  1  0.750  0.921  0.878  1.0
  Mg  Mg3  1  0.250  0.079  0.122  1.0
  Mn  Mn4  1  0.250  0.081  0.379  1.0
  Mn  Mn5  1  0.250  0.419  0.879  1.0
  Mn  Mn6  1  0.750  0.581  0.121  1.0
  Mn  Mn7  1  0.750  0.919  0.621  1.0
  O  O8  1  0.250  0.412  0.254  1.0
  O  O9  1  0.750  0.588  0.746  1.0
  O  O10  1  0.750  0.912  0.246  1.0
  O  O11  1  0.250  0.088  0.754  1.0
  O  O12  1  0.250  0.765  0.994  1.0
  O  O13  1  0.750  0.235  0.006  1.0
  O  O14  1  0.250  0.735  0.494  1.0
  O  O15  1  0.750  0.265  0.506  1.0
[/CIF]
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