The material described by MgZn(NiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted MgO4 trigonal pyramids that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-72°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and one O(8) atom. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form ZnO6 octahedra that share corners with three equivalent Mg(1)O4 trigonal pyramids, 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. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom to form distorted OMgZnNi3 trigonal bipyramids that share  a cornercorner with one O(5)MgNi3 tetrahedra,  a cornercorner with one O(7)ZnNi3 trigonal pyramid,  an edgeedge with one O(5)MgNi3 tetrahedra, edges with two equivalent O(3)MgZnNi3 trigonal bipyramids, and  an edgeedge with one O(7)ZnNi3 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom to form distorted OMgZnNi3 trigonal bipyramids that share  a cornercorner with one O(5)MgNi3 tetrahedra,  a cornercorner with one O(7)ZnNi3 trigonal pyramid,  an edgeedge with one O(5)MgNi3 tetrahedra, edges with two equivalent O(2)MgZnNi3 trigonal bipyramids, and  an edgeedge with one O(7)ZnNi3 trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Ni(3), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Ni(3) atom to form OMgNi3 tetrahedra that share  a cornercorner with one O(2)MgZnNi3 trigonal bipyramid,  a cornercorner with one O(3)MgZnNi3 trigonal bipyramid, corners with two equivalent O(7)ZnNi3 trigonal pyramids,  an edgeedge with one O(2)MgZnNi3 trigonal bipyramid, and  an edgeedge with one O(3)MgZnNi3 trigonal bipyramid. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the seventh O site, O(7) is bonded to one Ni(1), one Ni(3), one Ni(4), and one Zn(1) atom to form distorted OZnNi3 trigonal pyramids that share corners with two equivalent O(5)MgNi3 tetrahedra,  a cornercorner with one O(2)MgZnNi3 trigonal bipyramid,  a cornercorner with one O(3)MgZnNi3 trigonal bipyramid,  an edgeedge with one O(2)MgZnNi3 trigonal bipyramid, and  an edgeedge with one O(3)MgZnNi3 trigonal bipyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.983
_cell_length_b   6.090
_cell_length_c   6.097
_cell_angle_alpha   55.635
_cell_angle_beta   58.449
_cell_angle_gamma   58.478
_symmetry_Int_Tables_number   1
_cell_volume   147.879
_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  0.120  0.159  0.156  1.0
  Zn  Zn1  1  0.499  0.498  0.498  1.0
  Ni  Ni2  1  0.510  0.998  0.503  1.0
  Ni  Ni3  1  0.994  0.507  0.507  1.0
  Ni  Ni4  1  0.510  0.502  0.998  1.0
  Ni  Ni5  1  0.996  0.962  0.963  1.0
  O  O6  1  0.764  0.283  0.736  1.0
  O  O7  1  0.227  0.256  0.743  1.0
  O  O8  1  0.227  0.743  0.255  1.0
  O  O9  1  0.716  0.256  0.254  1.0
  O  O10  1  0.256  0.284  0.283  1.0
  O  O11  1  0.756  0.720  0.721  1.0
  O  O12  1  0.306  0.743  0.745  1.0
  O  O13  1  0.764  0.735  0.284  1.0
[/CIF]
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The material described by MgZn(NiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted MgO4 trigonal pyramids that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-72°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form NiO6 octahedra that share corners with three equivalent Mg(1)O4 trigonal pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Zn(1)O6 octahedra. In the fourth Ni site, Ni(4) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and one O(8) atom. Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form ZnO6 octahedra that share corners with three equivalent Mg(1)O4 trigonal pyramids, 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. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom to form distorted OMgZnNi3 trigonal bipyramids that share  a cornercorner with one O(5)MgNi3 tetrahedra,  a cornercorner with one O(7)ZnNi3 trigonal pyramid,  an edgeedge with one O(5)MgNi3 tetrahedra, edges with two equivalent O(3)MgZnNi3 trigonal bipyramids, and  an edgeedge with one O(7)ZnNi3 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom to form distorted OMgZnNi3 trigonal bipyramids that share  a cornercorner with one O(5)MgNi3 tetrahedra,  a cornercorner with one O(7)ZnNi3 trigonal pyramid,  an edgeedge with one O(5)MgNi3 tetrahedra, edges with two equivalent O(2)MgZnNi3 trigonal bipyramids, and  an edgeedge with one O(7)ZnNi3 trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one Ni(3), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Ni(3) atom to form OMgNi3 tetrahedra that share  a cornercorner with one O(2)MgZnNi3 trigonal bipyramid,  a cornercorner with one O(3)MgZnNi3 trigonal bipyramid, corners with two equivalent O(7)ZnNi3 trigonal pyramids,  an edgeedge with one O(2)MgZnNi3 trigonal bipyramid, and  an edgeedge with one O(3)MgZnNi3 trigonal bipyramid. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Ni(2), and one Ni(3) atom. In the seventh O site, O(7) is bonded to one Ni(1), one Ni(3), one Ni(4), and one Zn(1) atom to form distorted OZnNi3 trigonal pyramids that share corners with two equivalent O(5)MgNi3 tetrahedra,  a cornercorner with one O(2)MgZnNi3 trigonal bipyramid,  a cornercorner with one O(3)MgZnNi3 trigonal bipyramid,  an edgeedge with one O(2)MgZnNi3 trigonal bipyramid, and  an edgeedge with one O(3)MgZnNi3 trigonal bipyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.983
_cell_length_b   6.090
_cell_length_c   6.097
_cell_angle_alpha   55.635
_cell_angle_beta   58.449
_cell_angle_gamma   58.478
_symmetry_Int_Tables_number   1
_cell_volume   147.879
_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  0.120  0.159  0.156  1.0
  Zn  Zn1  1  0.499  0.498  0.498  1.0
  Ni  Ni2  1  0.510  0.998  0.503  1.0
  Ni  Ni3  1  0.994  0.507  0.507  1.0
  Ni  Ni4  1  0.510  0.502  0.998  1.0
  Ni  Ni5  1  0.996  0.962  0.963  1.0
  O  O6  1  0.764  0.283  0.736  1.0
  O  O7  1  0.227  0.256  0.743  1.0
  O  O8  1  0.227  0.743  0.255  1.0
  O  O9  1  0.716  0.256  0.254  1.0
  O  O10  1  0.256  0.284  0.283  1.0
  O  O11  1  0.756  0.720  0.721  1.0
  O  O12  1  0.306  0.743  0.745  1.0
  O  O13  1  0.764  0.735  0.284  1.0
[/CIF]
.