The crystal structure described by Mg(NiO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to four equivalent O(1) atoms to form MgO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. O(1) is bonded to one Mg(1) and three equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OMgNi3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   5.922
_cell_angle_alpha   118.312
_cell_angle_beta   118.312
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   138.480
_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  0.375  0.625  0.750  1.0
  Mg  Mg1  1  0.625  0.375  0.250  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  1.000  0.500  1.000  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.762  0.788  0.524  1.0
  O  O7  1  0.763  0.238  0.975  1.0
  O  O8  1  0.213  0.238  0.976  1.0
  O  O9  1  0.238  0.212  0.476  1.0
  O  O10  1  0.238  0.763  0.475  1.0
  O  O11  1  0.237  0.762  0.025  1.0
  O  O12  1  0.762  0.237  0.525  1.0
  O  O13  1  0.787  0.762  0.024  1.0
[/CIF]
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The crystal structure described by Mg(NiO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to four equivalent O(1) atoms to form MgO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. O(1) is bonded to one Mg(1) and three equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OMgNi3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.615
_cell_length_b   5.615
_cell_length_c   5.922
_cell_angle_alpha   118.312
_cell_angle_beta   118.312
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   138.480
_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  0.375  0.625  0.750  1.0
  Mg  Mg1  1  0.625  0.375  0.250  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  1.000  0.500  1.000  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.762  0.788  0.524  1.0
  O  O7  1  0.763  0.238  0.975  1.0
  O  O8  1  0.213  0.238  0.976  1.0
  O  O9  1  0.238  0.212  0.476  1.0
  O  O10  1  0.238  0.763  0.475  1.0
  O  O11  1  0.237  0.762  0.025  1.0
  O  O12  1  0.762  0.237  0.525  1.0
  O  O13  1  0.787  0.762  0.024  1.0
[/CIF]
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