The compound described by MgZn2(NiO2)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent Ni(1)O5 trigonal bipyramids, corners with two equivalent Zn(2)O4 trigonal pyramids, and edges with two equivalent Zn(2)O4 trigonal pyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(5) atoms to form distorted NiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent Ni(2)O5 trigonal bipyramids,  a cornercorner with one Zn(1)O4 trigonal pyramid, corners with two equivalent Zn(2)O4 trigonal pyramids,  an edgeedge with one Ni(2)O5 trigonal bipyramid, and edges with two equivalent Ni(1)O5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(4), two equivalent O(2), and two equivalent O(5) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O5 trigonal bipyramid, corners with four equivalent Ni(1)O5 trigonal bipyramids, corners with four equivalent Zn(1)O4 trigonal pyramids,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and edges with two equivalent Ni(2)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Ni(1)O5 trigonal bipyramids, corners with eight equivalent Ni(2)O5 trigonal bipyramids, and corners with two equivalent Zn(1)O4 trigonal pyramids. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent Ni(1)O5 trigonal bipyramids, corners with two equivalent Zn(2)O4 trigonal pyramids, and edges with two equivalent Mg(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent Ni(1), and one Zn(2) atom. In the second O site, O(2) is bonded to one Ni(1), two equivalent Ni(2), and one Zn(1) atom to form distorted OZnNi3 tetrahedra that share corners with three equivalent O(2)ZnNi3 tetrahedra and corners with four equivalent O(4)Zn2Ni2 tetrahedra. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Zn(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Ni(2) and two equivalent Zn(1) atoms to form OZn2Ni2 tetrahedra that share corners with two equivalent O(4)Zn2Ni2 tetrahedra and corners with eight equivalent O(2)ZnNi3 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.913
_cell_length_b   5.178
_cell_length_c   11.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.759
_symmetry_Int_Tables_number   1
_cell_volume   167.921
_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  0.340  0.830  0.250  1.0
  Zn  Zn1  1  0.530  0.712  0.750  1.0
  Zn  Zn2  1  0.488  0.332  0.250  1.0
  Ni  Ni3  1  0.888  0.702  0.017  1.0
  Ni  Ni4  1  0.092  0.194  0.899  1.0
  Ni  Ni5  1  0.888  0.702  0.483  1.0
  Ni  Ni6  1  0.092  0.194  0.601  1.0
  O  O7  1  0.358  0.575  0.378  1.0
  O  O8  1  0.674  0.453  0.619  1.0
  O  O9  1  0.674  0.453  0.881  1.0
  O  O10  1  0.358  0.575  0.122  1.0
  O  O11  1  0.906  0.073  0.250  1.0
  O  O12  1  0.091  0.981  0.750  1.0
  O  O13  1  0.487  0.961  0.965  1.0
  O  O14  1  0.487  0.961  0.535  1.0
[/CIF]
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The compound described by MgZn2(NiO2)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent Ni(1)O5 trigonal bipyramids, corners with two equivalent Zn(2)O4 trigonal pyramids, and edges with two equivalent Zn(2)O4 trigonal pyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(5) atoms to form distorted NiO5 trigonal bipyramids that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent Ni(2)O5 trigonal bipyramids,  a cornercorner with one Zn(1)O4 trigonal pyramid, corners with two equivalent Zn(2)O4 trigonal pyramids,  an edgeedge with one Ni(2)O5 trigonal bipyramid, and edges with two equivalent Ni(1)O5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(4), two equivalent O(2), and two equivalent O(5) atoms to form NiO5 trigonal bipyramids that share  a cornercorner with one Ni(2)O5 trigonal bipyramid, corners with four equivalent Ni(1)O5 trigonal bipyramids, corners with four equivalent Zn(1)O4 trigonal pyramids,  an edgeedge with one Ni(1)O5 trigonal bipyramid, and edges with two equivalent Ni(2)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Ni(1)O5 trigonal bipyramids, corners with eight equivalent Ni(2)O5 trigonal bipyramids, and corners with two equivalent Zn(1)O4 trigonal pyramids. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Mg(1)O4 tetrahedra, corners with four equivalent Ni(1)O5 trigonal bipyramids, corners with two equivalent Zn(2)O4 trigonal pyramids, and edges with two equivalent Mg(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent Ni(1), and one Zn(2) atom. In the second O site, O(2) is bonded to one Ni(1), two equivalent Ni(2), and one Zn(1) atom to form distorted OZnNi3 tetrahedra that share corners with three equivalent O(2)ZnNi3 tetrahedra and corners with four equivalent O(4)Zn2Ni2 tetrahedra. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Zn(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Ni(2) and two equivalent Zn(1) atoms to form OZn2Ni2 tetrahedra that share corners with two equivalent O(4)Zn2Ni2 tetrahedra and corners with eight equivalent O(2)ZnNi3 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.913
_cell_length_b   5.178
_cell_length_c   11.263
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.759
_symmetry_Int_Tables_number   1
_cell_volume   167.921
_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  0.340  0.830  0.250  1.0
  Zn  Zn1  1  0.530  0.712  0.750  1.0
  Zn  Zn2  1  0.488  0.332  0.250  1.0
  Ni  Ni3  1  0.888  0.702  0.017  1.0
  Ni  Ni4  1  0.092  0.194  0.899  1.0
  Ni  Ni5  1  0.888  0.702  0.483  1.0
  Ni  Ni6  1  0.092  0.194  0.601  1.0
  O  O7  1  0.358  0.575  0.378  1.0
  O  O8  1  0.674  0.453  0.619  1.0
  O  O9  1  0.674  0.453  0.881  1.0
  O  O10  1  0.358  0.575  0.122  1.0
  O  O11  1  0.906  0.073  0.250  1.0
  O  O12  1  0.091  0.981  0.750  1.0
  O  O13  1  0.487  0.961  0.965  1.0
  O  O14  1  0.487  0.961  0.535  1.0
[/CIF]
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