The crystal structure described by MgZn2(NiO2)4 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted NiO5 square pyramids that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 square pyramid. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with four equivalent Ni(1)O5 square pyramids. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with six equivalent Ni(1)O5 square pyramids. 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(1), two equivalent Ni(2), and one Zn(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Zn(1) atom to form a mixture of distorted face and corner-sharing OMgZnNi2 tetrahedra. In the third O site, O(3) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Zn(1) atom to form a mixture of distorted face and corner-sharing OMgZnNi2 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.772
_cell_length_b   5.774
_cell_length_c   6.896
_cell_angle_alpha   63.920
_cell_angle_beta   49.969
_cell_angle_gamma   63.185
_symmetry_Int_Tables_number   1
_cell_volume   179.791
_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  0.632  0.633  0.618  1.0
  Zn  Zn1  1  0.867  0.867  0.883  1.0
  Zn  Zn2  1  0.144  0.145  0.106  1.0
  Ni  Ni3  1  0.470  0.520  0.457  1.0
  Ni  Ni4  1  0.519  0.471  0.053  1.0
  Ni  Ni5  1  0.052  0.451  0.562  1.0
  Ni  Ni6  1  0.450  0.053  0.435  1.0
  O  O7  1  0.257  0.268  0.258  1.0
  O  O8  1  0.715  0.738  0.264  1.0
  O  O9  1  0.268  0.747  0.698  1.0
  O  O10  1  0.746  0.268  0.788  1.0
  O  O11  1  0.719  0.270  0.242  1.0
  O  O12  1  0.270  0.720  0.269  1.0
  O  O13  1  0.268  0.257  0.718  1.0
  O  O14  1  0.737  0.716  0.784  1.0
[/CIF]
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The crystal structure described by MgZn2(NiO2)4 crystallizes in the monoclinic C2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted NiO5 square pyramids that share corners with two equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O5 square pyramid. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with four equivalent Ni(1)O5 square pyramids. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted ZnO4 tetrahedra that share corners with six equivalent Ni(1)O5 square pyramids. 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(1), two equivalent Ni(2), and one Zn(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Zn(1) atom to form a mixture of distorted face and corner-sharing OMgZnNi2 tetrahedra. In the third O site, O(3) is bonded to one Mg(1), one Ni(1), one Ni(2), and one Zn(1) atom to form a mixture of distorted face and corner-sharing OMgZnNi2 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one Zn(2) atom. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.772
_cell_length_b   5.774
_cell_length_c   6.896
_cell_angle_alpha   63.920
_cell_angle_beta   49.969
_cell_angle_gamma   63.185
_symmetry_Int_Tables_number   1
_cell_volume   179.791
_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  0.632  0.633  0.618  1.0
  Zn  Zn1  1  0.867  0.867  0.883  1.0
  Zn  Zn2  1  0.144  0.145  0.106  1.0
  Ni  Ni3  1  0.470  0.520  0.457  1.0
  Ni  Ni4  1  0.519  0.471  0.053  1.0
  Ni  Ni5  1  0.052  0.451  0.562  1.0
  Ni  Ni6  1  0.450  0.053  0.435  1.0
  O  O7  1  0.257  0.268  0.258  1.0
  O  O8  1  0.715  0.738  0.264  1.0
  O  O9  1  0.268  0.747  0.698  1.0
  O  O10  1  0.746  0.268  0.788  1.0
  O  O11  1  0.719  0.270  0.242  1.0
  O  O12  1  0.270  0.720  0.269  1.0
  O  O13  1  0.268  0.257  0.718  1.0
  O  O14  1  0.737  0.716  0.784  1.0
[/CIF]
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