The compound described by MgMnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Mg site, Mg(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(2), one Mn(1), and two equivalent Mn(2) atoms to form distorted edge-sharing OMg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_MgMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.033
_cell_length_b   8.368
_cell_length_c   8.451
_cell_angle_alpha   86.054
_cell_angle_beta   79.661
_cell_angle_gamma   79.864
_symmetry_Int_Tables_number   1
_cell_volume   207.524
_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  0.156  0.906  0.239  1.0
  Mg  Mg1  1  0.844  0.094  0.761  1.0
  Mg  Mg2  1  0.434  0.261  0.106  1.0
  Mg  Mg3  1  0.566  0.739  0.894  1.0
  Mn  Mn4  1  0.901  0.780  0.585  1.0
  Mn  Mn5  1  0.340  0.582  0.234  1.0
  Mn  Mn6  1  0.660  0.418  0.766  1.0
  Mn  Mn7  1  0.099  0.220  0.415  1.0
  O  O8  1  0.675  0.263  0.575  1.0
  O  O9  1  0.095  0.608  0.801  1.0
  O  O10  1  0.905  0.392  0.199  1.0
  O  O11  1  0.325  0.737  0.425  1.0
  O  O12  1  0.411  0.925  0.734  1.0
  O  O13  1  0.675  0.762  0.125  1.0
  O  O14  1  0.589  0.075  0.266  1.0
  O  O15  1  0.325  0.238  0.875  1.0
[/CIF]
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The compound described by MgMnO2 crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(3), and two equivalent O(4) atoms. In the second Mg site, Mg(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(2), one Mn(1), and two equivalent Mn(2) atoms to form distorted edge-sharing OMg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(2), two equivalent Mg(1), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_MgMnO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.033
_cell_length_b   8.368
_cell_length_c   8.451
_cell_angle_alpha   86.054
_cell_angle_beta   79.661
_cell_angle_gamma   79.864
_symmetry_Int_Tables_number   1
_cell_volume   207.524
_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  0.156  0.906  0.239  1.0
  Mg  Mg1  1  0.844  0.094  0.761  1.0
  Mg  Mg2  1  0.434  0.261  0.106  1.0
  Mg  Mg3  1  0.566  0.739  0.894  1.0
  Mn  Mn4  1  0.901  0.780  0.585  1.0
  Mn  Mn5  1  0.340  0.582  0.234  1.0
  Mn  Mn6  1  0.660  0.418  0.766  1.0
  Mn  Mn7  1  0.099  0.220  0.415  1.0
  O  O8  1  0.675  0.263  0.575  1.0
  O  O9  1  0.095  0.608  0.801  1.0
  O  O10  1  0.905  0.392  0.199  1.0
  O  O11  1  0.325  0.737  0.425  1.0
  O  O12  1  0.411  0.925  0.734  1.0
  O  O13  1  0.675  0.762  0.125  1.0
  O  O14  1  0.589  0.075  0.266  1.0
  O  O15  1  0.325  0.238  0.875  1.0
[/CIF]
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