The compound described by MgZn2(NiO2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form MgO4 tetrahedra that share corners with six equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(1)O4 tetrahedra,  an edgeedge with one Ni(3)O5 square pyramid, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-67°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form NiO4 tetrahedra that share corners with six equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O5 square pyramids, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Ni(3)O5 square pyramid, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Ni(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O5 square pyramid. In the third Ni site, Ni(3) is bonded to one O(3), two equivalent O(1), and two equivalent O(5) atoms to form distorted NiO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 75°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form distorted ZnO4 trigonal pyramids that share corners with six equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O5 square pyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-74°. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Ni(3), 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(2) atom to form OZnNi3 trigonal pyramids that share corners with two equivalent O(6)MgZnNi2 tetrahedra and corners with four equivalent O(5)Zn2Ni2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ni(2), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Ni(2), one Ni(3), one Zn(1), and one Zn(2) atom to form OZn2Ni2 tetrahedra that share  a cornercorner with one O(5)Zn2Ni2 tetrahedra, corners with two equivalent O(6)MgZnNi2 tetrahedra, corners with two equivalent O(2)ZnNi3 trigonal pyramids, and  an edgeedge with one O(5)Zn2Ni2 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Ni(2), and one Zn(1) atom to form distorted OMgZnNi2 tetrahedra that share corners with four equivalent O(5)Zn2Ni2 tetrahedra and corners with two equivalent O(2)ZnNi3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   6.070
_cell_length_c   6.144
_cell_angle_alpha   60.396
_cell_angle_beta   55.881
_cell_angle_gamma   61.201
_symmetry_Int_Tables_number   1
_cell_volume   162.163
_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  0.188  0.784  0.243  1.0
  Zn  Zn1  1  0.913  0.069  0.949  1.0
  Zn  Zn2  1  0.168  0.548  0.737  1.0
  Ni  Ni3  1  0.281  0.217  0.284  1.0
  Ni  Ni4  1  0.628  0.118  0.621  1.0
  Ni  Ni5  1  0.668  0.600  0.132  1.0
  Ni  Ni6  1  0.628  0.633  0.621  1.0
  O  O7  1  0.398  0.409  0.370  1.0
  O  O8  1  0.438  0.344  0.873  1.0
  O  O9  1  0.398  0.824  0.370  1.0
  O  O10  1  0.877  0.369  0.385  1.0
  O  O11  1  0.357  0.901  0.841  1.0
  O  O12  1  0.857  0.437  0.852  1.0
  O  O13  1  0.813  0.913  0.361  1.0
  O  O14  1  0.857  0.854  0.852  1.0
[/CIF]
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The compound described by MgZn2(NiO2)4 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form MgO4 tetrahedra that share corners with six equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(1)O4 tetrahedra,  an edgeedge with one Ni(3)O5 square pyramid, and  an edgeedge with one Zn(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 32-67°. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form NiO4 tetrahedra that share corners with six equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O5 square pyramids, and corners with two equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-70°. In the second Ni site, Ni(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form NiO6 octahedra that share  a cornercorner with one Ni(3)O5 square pyramid, corners with three equivalent Mg(1)O4 tetrahedra, corners with three equivalent Ni(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Ni(3)O5 square pyramid. In the third Ni site, Ni(3) is bonded to one O(3), two equivalent O(1), and two equivalent O(5) atoms to form distorted NiO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 trigonal pyramids, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 75°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(6), and two equivalent O(5) atoms to form distorted ZnO4 trigonal pyramids that share corners with six equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O5 square pyramids, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-74°. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one Ni(3), 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(2) atom to form OZnNi3 trigonal pyramids that share corners with two equivalent O(6)MgZnNi2 tetrahedra and corners with four equivalent O(5)Zn2Ni2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(3), and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ni(2), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Ni(2), one Ni(3), one Zn(1), and one Zn(2) atom to form OZn2Ni2 tetrahedra that share  a cornercorner with one O(5)Zn2Ni2 tetrahedra, corners with two equivalent O(6)MgZnNi2 tetrahedra, corners with two equivalent O(2)ZnNi3 trigonal pyramids, and  an edgeedge with one O(5)Zn2Ni2 tetrahedra. In the sixth O site, O(6) is bonded to one Mg(1), two equivalent Ni(2), and one Zn(1) atom to form distorted OMgZnNi2 tetrahedra that share corners with four equivalent O(5)Zn2Ni2 tetrahedra and corners with two equivalent O(2)ZnNi3 trigonal pyramids. is represented by the CIF file [CIF]
data_MgZn2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.300
_cell_length_b   6.070
_cell_length_c   6.144
_cell_angle_alpha   60.396
_cell_angle_beta   55.881
_cell_angle_gamma   61.201
_symmetry_Int_Tables_number   1
_cell_volume   162.163
_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  0.188  0.784  0.243  1.0
  Zn  Zn1  1  0.913  0.069  0.949  1.0
  Zn  Zn2  1  0.168  0.548  0.737  1.0
  Ni  Ni3  1  0.281  0.217  0.284  1.0
  Ni  Ni4  1  0.628  0.118  0.621  1.0
  Ni  Ni5  1  0.668  0.600  0.132  1.0
  Ni  Ni6  1  0.628  0.633  0.621  1.0
  O  O7  1  0.398  0.409  0.370  1.0
  O  O8  1  0.438  0.344  0.873  1.0
  O  O9  1  0.398  0.824  0.370  1.0
  O  O10  1  0.877  0.369  0.385  1.0
  O  O11  1  0.357  0.901  0.841  1.0
  O  O12  1  0.857  0.437  0.852  1.0
  O  O13  1  0.813  0.913  0.361  1.0
  O  O14  1  0.857  0.854  0.852  1.0
[/CIF]
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