The material described by MgZn2(NiO2)4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form distorted MgO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(2)O4 tetrahedra, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-62°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) 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 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  a cornercorner with one Ni(4)O5 trigonal bipyramid, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(2), 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 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  a cornercorner with one Ni(4)O5 trigonal bipyramid, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and one O(8) atom. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(4), one O(6), one O(7), and one O(8) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 70-71°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with three equivalent Ni(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-67°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form distorted ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-73°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), one Ni(3), one Ni(4), and one Zn(2) atom to form OZnNi3 tetrahedra that share corners with three equivalent O(8)MgZnNi3 square pyramids,  a cornercorner with one O(7)ZnNi3 tetrahedra, and  an edgeedge with one O(7)ZnNi3 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one 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), one Ni(1), one Ni(2), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom. In the seventh O site, O(7) is bonded to one Ni(2), one Ni(3), one Ni(4), and one Zn(2) atom to form OZnNi3 tetrahedra that share corners with two equivalent O(8)MgZnNi3 square pyramids,  a cornercorner with one O(1)ZnNi3 tetrahedra, and  an edgeedge with one O(1)ZnNi3 tetrahedra. In the eighth O site, O(8) is bonded to one Mg(1), one Ni(1), one Ni(3), one Ni(4), and one Zn(1) atom to form distorted corner-sharing OMgZnNi3 square pyramids. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.256
_cell_length_b   6.007
_cell_length_c   5.837
_cell_angle_alpha   90.055
_cell_angle_beta   117.395
_cell_angle_gamma   119.024
_symmetry_Int_Tables_number   1
_cell_volume   163.063
_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  0.295  0.638  0.901  1.0
  Zn  Zn1  1  0.181  0.094  0.840  1.0
  Zn  Zn2  1  0.849  0.921  0.186  1.0
  Ni  Ni3  1  0.476  0.981  0.488  1.0
  Ni  Ni4  1  0.476  0.494  0.488  1.0
  Ni  Ni5  1  0.877  0.441  0.958  1.0
  Ni  Ni6  1  0.896  0.450  0.429  1.0
  O  O7  1  0.020  0.723  0.261  1.0
  O  O8  1  0.530  0.755  0.747  1.0
  O  O9  1  0.531  0.756  0.285  1.0
  O  O10  1  0.971  0.699  0.731  1.0
  O  O11  1  0.457  0.241  0.703  1.0
  O  O12  1  0.464  0.245  0.252  1.0
  O  O13  1  0.005  0.290  0.253  1.0
  O  O14  1  0.950  0.261  0.720  1.0
[/CIF]
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The material described by MgZn2(NiO2)4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form distorted MgO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(2)O4 tetrahedra, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-62°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) 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 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  a cornercorner with one Ni(4)O5 trigonal bipyramid, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. In the second Ni site, Ni(2) is bonded to one O(2), 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 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra,  a cornercorner with one Ni(4)O5 trigonal bipyramid, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Ni(4)O5 trigonal bipyramid. In the third Ni site, Ni(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), one O(7), and one O(8) atom. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(4), one O(6), one O(7), and one O(8) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 70-71°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, and corners with three equivalent Ni(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 55-67°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form distorted ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O5 trigonal bipyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-73°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), one Ni(3), one Ni(4), and one Zn(2) atom to form OZnNi3 tetrahedra that share corners with three equivalent O(8)MgZnNi3 square pyramids,  a cornercorner with one O(7)ZnNi3 tetrahedra, and  an edgeedge with one O(7)ZnNi3 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Ni(1), one 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), one Ni(1), one Ni(2), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom. In the seventh O site, O(7) is bonded to one Ni(2), one Ni(3), one Ni(4), and one Zn(2) atom to form OZnNi3 tetrahedra that share corners with two equivalent O(8)MgZnNi3 square pyramids,  a cornercorner with one O(1)ZnNi3 tetrahedra, and  an edgeedge with one O(1)ZnNi3 tetrahedra. In the eighth O site, O(8) is bonded to one Mg(1), one Ni(1), one Ni(3), one Ni(4), and one Zn(1) atom to form distorted corner-sharing OMgZnNi3 square pyramids. is represented by the CIF card [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.256
_cell_length_b   6.007
_cell_length_c   5.837
_cell_angle_alpha   90.055
_cell_angle_beta   117.395
_cell_angle_gamma   119.024
_symmetry_Int_Tables_number   1
_cell_volume   163.063
_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  0.295  0.638  0.901  1.0
  Zn  Zn1  1  0.181  0.094  0.840  1.0
  Zn  Zn2  1  0.849  0.921  0.186  1.0
  Ni  Ni3  1  0.476  0.981  0.488  1.0
  Ni  Ni4  1  0.476  0.494  0.488  1.0
  Ni  Ni5  1  0.877  0.441  0.958  1.0
  Ni  Ni6  1  0.896  0.450  0.429  1.0
  O  O7  1  0.020  0.723  0.261  1.0
  O  O8  1  0.530  0.755  0.747  1.0
  O  O9  1  0.531  0.756  0.285  1.0
  O  O10  1  0.971  0.699  0.731  1.0
  O  O11  1  0.457  0.241  0.703  1.0
  O  O12  1  0.464  0.245  0.252  1.0
  O  O13  1  0.005  0.290  0.253  1.0
  O  O14  1  0.950  0.261  0.720  1.0
[/CIF]
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