The compound described by MgZn2(NiO2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-72°. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-66°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), two equivalent Ni(2), and one Zn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ni(1), two equivalent Ni(2), and one Zn(1) atom to form a mixture of edge and corner-sharing OZnNi3 tetrahedra. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   6.223
_cell_length_c   6.029
_cell_angle_alpha   118.677
_cell_angle_beta   118.677
_cell_angle_gamma   95.323
_symmetry_Int_Tables_number   1
_cell_volume   163.146
_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  0.592  0.408  0.750  1.0
  Zn  Zn1  1  0.313  0.687  0.750  1.0
  Zn  Zn2  1  0.649  0.351  0.250  1.0
  Ni  Ni3  1  0.001  0.999  0.493  1.0
  Ni  Ni4  1  0.066  0.475  0.021  1.0
  Ni  Ni5  1  0.525  0.934  0.479  1.0
  Ni  Ni6  1  0.001  0.999  0.007  1.0
  O  O7  1  0.785  0.762  0.525  1.0
  O  O8  1  0.759  0.238  0.962  1.0
  O  O9  1  0.238  0.215  0.975  1.0
  O  O10  1  0.206  0.258  0.480  1.0
  O  O11  1  0.232  0.764  0.460  1.0
  O  O12  1  0.236  0.768  0.040  1.0
  O  O13  1  0.762  0.241  0.538  1.0
  O  O14  1  0.742  0.794  0.020  1.0
[/CIF]
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The compound described by MgZn2(NiO2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form distorted MgO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-61°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-72°. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 57-66°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), two equivalent Ni(2), and one Zn(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ni(1), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Ni(1), two equivalent Ni(2), and one Zn(1) atom to form a mixture of edge and corner-sharing OZnNi3 tetrahedra. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.223
_cell_length_b   6.223
_cell_length_c   6.029
_cell_angle_alpha   118.677
_cell_angle_beta   118.677
_cell_angle_gamma   95.323
_symmetry_Int_Tables_number   1
_cell_volume   163.146
_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  0.592  0.408  0.750  1.0
  Zn  Zn1  1  0.313  0.687  0.750  1.0
  Zn  Zn2  1  0.649  0.351  0.250  1.0
  Ni  Ni3  1  0.001  0.999  0.493  1.0
  Ni  Ni4  1  0.066  0.475  0.021  1.0
  Ni  Ni5  1  0.525  0.934  0.479  1.0
  Ni  Ni6  1  0.001  0.999  0.007  1.0
  O  O7  1  0.785  0.762  0.525  1.0
  O  O8  1  0.759  0.238  0.962  1.0
  O  O9  1  0.238  0.215  0.975  1.0
  O  O10  1  0.206  0.258  0.480  1.0
  O  O11  1  0.232  0.764  0.460  1.0
  O  O12  1  0.236  0.768  0.040  1.0
  O  O13  1  0.762  0.241  0.538  1.0
  O  O14  1  0.742  0.794  0.020  1.0
[/CIF]
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