The structure described by MgNiO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to three equivalent Mg(1) and three equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OMg3Ni3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.976
_cell_length_b   2.976
_cell_length_c   5.077
_cell_angle_alpha   72.953
_cell_angle_beta   72.953
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   36.647
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.749  0.749  0.752  1.0
  O  O3  1  0.251  0.251  0.248  1.0
[/CIF]
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The structure described by MgNiO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to three equivalent Mg(1) and three equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OMg3Ni3 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.976
_cell_length_b   2.976
_cell_length_c   5.077
_cell_angle_alpha   72.953
_cell_angle_beta   72.953
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   36.647
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.749  0.749  0.752  1.0
  O  O3  1  0.251  0.251  0.248  1.0
[/CIF]
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