The crystal structure described by MgZn2(NiO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. Zn(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom to form OZnNi3 tetrahedra that share corners with three equivalent O(3)MgZnNi3 square pyramids, corners with three equivalent O(4)MgZnNi3 square pyramids, corners with three equivalent O(1)ZnNi3 tetrahedra, corners with three equivalent O(2)MgZnNi3 trigonal bipyramids,  an edgeedge with one O(3)MgZnNi3 square pyramid,  an edgeedge with one O(4)MgZnNi3 square pyramid, and  an edgeedge with one O(2)MgZnNi3 trigonal bipyramid. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Ni(3), one Ni(4), and one Zn(1) atom to form OMgZnNi3 trigonal bipyramids that share  a cornercorner with one O(3)MgZnNi3 square pyramid,  a cornercorner with one O(4)MgZnNi3 square pyramid, corners with three equivalent O(1)ZnNi3 tetrahedra, corners with four equivalent O(2)MgZnNi3 trigonal bipyramids, edges with three equivalent O(3)MgZnNi3 square pyramids, edges with three equivalent O(4)MgZnNi3 square pyramids, and  an edgeedge with one O(1)ZnNi3 tetrahedra. In the third O site, O(3) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom to form OMgZnNi3 square pyramids that share  a cornercorner with one O(4)MgZnNi3 square pyramid, corners with four equivalent O(3)MgZnNi3 square pyramids, corners with three equivalent O(1)ZnNi3 tetrahedra,  a cornercorner with one O(2)MgZnNi3 trigonal bipyramid, edges with three equivalent O(4)MgZnNi3 square pyramids,  an edgeedge with one O(1)ZnNi3 tetrahedra, and edges with three equivalent O(2)MgZnNi3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(3), and one Zn(1) atom to form OMgZnNi3 square pyramids that share  a cornercorner with one O(3)MgZnNi3 square pyramid, corners with four equivalent O(4)MgZnNi3 square pyramids, corners with three equivalent O(1)ZnNi3 tetrahedra,  a cornercorner with one O(2)MgZnNi3 trigonal bipyramid, edges with three equivalent O(3)MgZnNi3 square pyramids,  an edgeedge with one O(1)ZnNi3 tetrahedra, and edges with three equivalent O(2)MgZnNi3 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.162
_cell_length_c   6.169
_cell_angle_alpha   57.138
_cell_angle_beta   56.006
_cell_angle_gamma   56.035
_symmetry_Int_Tables_number   1
_cell_volume   153.528
_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
  Zn  Zn1  1  0.827  0.852  0.855  1.0
  Zn  Zn2  1  0.173  0.148  0.145  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.500  0.000  0.500  1.0
  O  O7  1  0.295  0.266  0.266  1.0
  O  O8  1  0.739  0.764  0.268  1.0
  O  O9  1  0.236  0.753  0.754  1.0
  O  O10  1  0.738  0.267  0.765  1.0
  O  O11  1  0.764  0.247  0.246  1.0
  O  O12  1  0.262  0.733  0.235  1.0
  O  O13  1  0.261  0.236  0.732  1.0
  O  O14  1  0.705  0.734  0.734  1.0
[/CIF]
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The crystal structure described by MgZn2(NiO2)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-7°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. Zn(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom to form OZnNi3 tetrahedra that share corners with three equivalent O(3)MgZnNi3 square pyramids, corners with three equivalent O(4)MgZnNi3 square pyramids, corners with three equivalent O(1)ZnNi3 tetrahedra, corners with three equivalent O(2)MgZnNi3 trigonal bipyramids,  an edgeedge with one O(3)MgZnNi3 square pyramid,  an edgeedge with one O(4)MgZnNi3 square pyramid, and  an edgeedge with one O(2)MgZnNi3 trigonal bipyramid. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Ni(3), one Ni(4), and one Zn(1) atom to form OMgZnNi3 trigonal bipyramids that share  a cornercorner with one O(3)MgZnNi3 square pyramid,  a cornercorner with one O(4)MgZnNi3 square pyramid, corners with three equivalent O(1)ZnNi3 tetrahedra, corners with four equivalent O(2)MgZnNi3 trigonal bipyramids, edges with three equivalent O(3)MgZnNi3 square pyramids, edges with three equivalent O(4)MgZnNi3 square pyramids, and  an edgeedge with one O(1)ZnNi3 tetrahedra. In the third O site, O(3) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom to form OMgZnNi3 square pyramids that share  a cornercorner with one O(4)MgZnNi3 square pyramid, corners with four equivalent O(3)MgZnNi3 square pyramids, corners with three equivalent O(1)ZnNi3 tetrahedra,  a cornercorner with one O(2)MgZnNi3 trigonal bipyramid, edges with three equivalent O(4)MgZnNi3 square pyramids,  an edgeedge with one O(1)ZnNi3 tetrahedra, and edges with three equivalent O(2)MgZnNi3 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(3), and one Zn(1) atom to form OMgZnNi3 square pyramids that share  a cornercorner with one O(3)MgZnNi3 square pyramid, corners with four equivalent O(4)MgZnNi3 square pyramids, corners with three equivalent O(1)ZnNi3 tetrahedra,  a cornercorner with one O(2)MgZnNi3 trigonal bipyramid, edges with three equivalent O(3)MgZnNi3 square pyramids,  an edgeedge with one O(1)ZnNi3 tetrahedra, and edges with three equivalent O(2)MgZnNi3 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.162
_cell_length_c   6.169
_cell_angle_alpha   57.138
_cell_angle_beta   56.006
_cell_angle_gamma   56.035
_symmetry_Int_Tables_number   1
_cell_volume   153.528
_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
  Zn  Zn1  1  0.827  0.852  0.855  1.0
  Zn  Zn2  1  0.173  0.148  0.145  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  Ni  Ni6  1  0.500  0.000  0.500  1.0
  O  O7  1  0.295  0.266  0.266  1.0
  O  O8  1  0.739  0.764  0.268  1.0
  O  O9  1  0.236  0.753  0.754  1.0
  O  O10  1  0.738  0.267  0.765  1.0
  O  O11  1  0.764  0.247  0.246  1.0
  O  O12  1  0.262  0.733  0.235  1.0
  O  O13  1  0.261  0.236  0.732  1.0
  O  O14  1  0.705  0.734  0.734  1.0
[/CIF]
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