The material structure described by MgNiO2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted corner-sharing MgO4 tetrahedra. Ni(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Ni(1) atoms. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Ni(1) atoms to form corner-sharing OMgNi3 tetrahedra. is represented by the CIF card [CIF]
data_MgNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   5.654
_cell_length_c   5.646
_cell_angle_alpha   31.780
_cell_angle_beta   31.820
_cell_angle_gamma   31.780
_symmetry_Int_Tables_number   1
_cell_volume   44.426
_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
  Mg  Mg0  1  0.353  0.362  0.353  1.0
  Ni  Ni1  1  0.515  0.514  0.515  1.0
  O  O2  1  0.745  0.751  0.745  1.0
  O  O3  1  0.237  0.235  0.237  1.0
[/CIF]
.
The material structure described by MgNiO2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted corner-sharing MgO4 tetrahedra. Ni(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Ni(1) atoms. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Ni(1) atoms to form corner-sharing OMgNi3 tetrahedra. is represented by the CIF card [CIF]
data_MgNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.646
_cell_length_b   5.654
_cell_length_c   5.646
_cell_angle_alpha   31.780
_cell_angle_beta   31.820
_cell_angle_gamma   31.780
_symmetry_Int_Tables_number   1
_cell_volume   44.426
_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
  Mg  Mg0  1  0.353  0.362  0.353  1.0
  Ni  Ni1  1  0.515  0.514  0.515  1.0
  O  O2  1  0.745  0.751  0.745  1.0
  O  O3  1  0.237  0.235  0.237  1.0
[/CIF]
.