The material described by MgMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pnnm space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with eight equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with eight equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. O(1) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Mn3 pentagonal pyramids. is represented by the CIF file [CIF]
data_MgMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.038
_cell_length_b   5.320
_cell_length_c   5.349
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.455
_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  0.000  0.500  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.000  0.164  0.265  1.0
  O  O5  1  0.500  0.664  0.235  1.0
  O  O6  1  0.000  0.836  0.735  1.0
  O  O7  1  0.500  0.336  0.765  1.0
[/CIF]
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The material described by MgMnO2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pnnm space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with eight equivalent Mg(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with eight equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Mg(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 47°. O(1) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMg3Mn3 pentagonal pyramids. is represented by the CIF file [CIF]
data_MgMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.038
_cell_length_b   5.320
_cell_length_c   5.349
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.455
_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  0.000  0.500  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.000  1.0
  Mn  Mn3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.000  0.164  0.265  1.0
  O  O5  1  0.500  0.664  0.235  1.0
  O  O6  1  0.000  0.836  0.735  1.0
  O  O7  1  0.500  0.336  0.765  1.0
[/CIF]
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