The compound described by Mg(NiO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/a 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 54-65°. 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 CIF card [CIF]
data_Mg(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.780
_cell_length_b   5.855
_cell_length_c   5.855
_cell_angle_alpha   90.010
_cell_angle_beta   120.415
_cell_angle_gamma   120.433
_symmetry_Int_Tables_number   1
_cell_volume   138.295
_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  0.250  0.125  0.875  1.0
  Mg  Mg1  1  0.750  0.875  0.125  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.033  0.745  0.241  1.0
  O  O7  1  0.467  0.760  0.712  1.0
  O  O8  1  0.467  0.707  0.255  1.0
  O  O9  1  0.967  0.712  0.708  1.0
  O  O10  1  0.533  0.293  0.745  1.0
  O  O11  1  0.533  0.240  0.288  1.0
  O  O12  1  0.033  0.288  0.292  1.0
  O  O13  1  0.967  0.255  0.759  1.0
[/CIF]
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The compound described by Mg(NiO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/a 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 54-65°. 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 CIF card [CIF]
data_Mg(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.780
_cell_length_b   5.855
_cell_length_c   5.855
_cell_angle_alpha   90.010
_cell_angle_beta   120.415
_cell_angle_gamma   120.433
_symmetry_Int_Tables_number   1
_cell_volume   138.295
_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  0.250  0.125  0.875  1.0
  Mg  Mg1  1  0.750  0.875  0.125  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  Ni  Ni4  1  0.000  0.500  0.000  1.0
  Ni  Ni5  1  1.000  0.500  0.500  1.0
  O  O6  1  0.033  0.745  0.241  1.0
  O  O7  1  0.467  0.760  0.712  1.0
  O  O8  1  0.467  0.707  0.255  1.0
  O  O9  1  0.967  0.712  0.708  1.0
  O  O10  1  0.533  0.293  0.745  1.0
  O  O11  1  0.533  0.240  0.288  1.0
  O  O12  1  0.033  0.288  0.292  1.0
  O  O13  1  0.967  0.255  0.759  1.0
[/CIF]
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