The material structure described by MgZn(NiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), two equivalent O(5), and two equivalent O(8) atoms to form MgO5 square pyramids that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-59°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Mg(1)O5 square pyramid, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-57°. In the second Ni site, Ni(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-58°. In the third Ni site, Ni(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-57°. In the fourth Ni site, Ni(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Zn(1)O5 square pyramid, and edges with two equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-58°. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ni(3), and two equivalent Ni(4) atoms to form OMgNi3 trigonal pyramids that share corners with two equivalent O(7)Zn2Ni3 square pyramids, corners with two equivalent O(1)MgNi3 trigonal pyramids,  an edgeedge with one O(7)Zn2Ni3 square pyramid, and edges with two equivalent O(5)Mg2Ni3 square pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Ni(2), two equivalent Ni(1), and one Zn(1) atom to form OZnNi3 trigonal pyramids that share corners with two equivalent O(5)Mg2Ni3 square pyramids, corners with two equivalent O(4)ZnNi3 trigonal pyramids,  an edgeedge with one O(5)Mg2Ni3 square pyramid, and edges with two equivalent O(7)Zn2Ni3 square pyramids. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Ni(4), and two equivalent Ni(1) atoms to form OMg2Ni3 square pyramids that share corners with two equivalent O(4)ZnNi3 trigonal pyramids, edges with two equivalent O(5)Mg2Ni3 square pyramids, edges with two equivalent O(7)Zn2Ni3 square pyramids,  an edgeedge with one O(4)ZnNi3 trigonal pyramid, and edges with two equivalent O(1)MgNi3 trigonal pyramids. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ni(3), two equivalent Ni(2), and two equivalent Zn(1) atoms. In the seventh O site, O(7) is bonded to one Ni(1), two equivalent Ni(4), and two equivalent Zn(1) atoms to form OZn2Ni3 square pyramids that share corners with two equivalent O(1)MgNi3 trigonal pyramids, edges with two equivalent O(5)Mg2Ni3 square pyramids, edges with two equivalent O(7)Zn2Ni3 square pyramids,  an edgeedge with one O(1)MgNi3 trigonal pyramid, and edges with two equivalent O(4)ZnNi3 trigonal pyramids. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_MgZn(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.960
_cell_length_b   7.188
_cell_length_c   7.294
_cell_angle_alpha   79.153
_cell_angle_beta   78.183
_cell_angle_gamma   77.806
_symmetry_Int_Tables_number   1
_cell_volume   146.754
_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  0.666  0.830  0.839  1.0
  Zn  Zn1  1  0.318  0.152  0.212  1.0
  Ni  Ni2  1  0.628  0.175  0.568  1.0
  Ni  Ni3  1  0.135  0.523  0.211  1.0
  Ni  Ni4  1  0.847  0.461  0.842  1.0
  Ni  Ni5  1  0.354  0.806  0.486  1.0
  O  O6  1  0.858  0.665  0.621  1.0
  O  O7  1  0.457  0.304  0.780  1.0
  O  O8  1  0.527  0.683  0.268  1.0
  O  O9  1  0.121  0.322  0.436  1.0
  O  O10  1  0.162  0.986  0.688  1.0
  O  O11  1  0.780  0.333  0.101  1.0
  O  O12  1  0.820  0.999  0.367  1.0
  O  O13  1  0.207  0.643  0.947  1.0
[/CIF]
.
The material structure described by MgZn(NiO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), two equivalent O(5), and two equivalent O(8) atoms to form MgO5 square pyramids that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Mg(1)O5 square pyramids, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-59°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Mg(1)O5 square pyramid, and edges with two equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-57°. In the second Ni site, Ni(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-58°. In the third Ni site, Ni(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Mg(1)O5 square pyramids, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and  a faceface with one Mg(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-57°. In the fourth Ni site, Ni(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Zn(1)O5 square pyramid, and edges with two equivalent Mg(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-58°. Zn(1) is bonded to one O(4), two equivalent O(6), and two equivalent O(7) atoms to form ZnO5 square pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ni(3), and two equivalent Ni(4) atoms to form OMgNi3 trigonal pyramids that share corners with two equivalent O(7)Zn2Ni3 square pyramids, corners with two equivalent O(1)MgNi3 trigonal pyramids,  an edgeedge with one O(7)Zn2Ni3 square pyramid, and edges with two equivalent O(5)Mg2Ni3 square pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ni(4) and two equivalent Ni(2) atoms. In the fourth O site, O(4) is bonded to one Ni(2), two equivalent Ni(1), and one Zn(1) atom to form OZnNi3 trigonal pyramids that share corners with two equivalent O(5)Mg2Ni3 square pyramids, corners with two equivalent O(4)ZnNi3 trigonal pyramids,  an edgeedge with one O(5)Mg2Ni3 square pyramid, and edges with two equivalent O(7)Zn2Ni3 square pyramids. In the fifth O site, O(5) is bonded to two equivalent Mg(1), one Ni(4), and two equivalent Ni(1) atoms to form OMg2Ni3 square pyramids that share corners with two equivalent O(4)ZnNi3 trigonal pyramids, edges with two equivalent O(5)Mg2Ni3 square pyramids, edges with two equivalent O(7)Zn2Ni3 square pyramids,  an edgeedge with one O(4)ZnNi3 trigonal pyramid, and edges with two equivalent O(1)MgNi3 trigonal pyramids. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ni(3), two equivalent Ni(2), and two equivalent Zn(1) atoms. In the seventh O site, O(7) is bonded to one Ni(1), two equivalent Ni(4), and two equivalent Zn(1) atoms to form OZn2Ni3 square pyramids that share corners with two equivalent O(1)MgNi3 trigonal pyramids, edges with two equivalent O(5)Mg2Ni3 square pyramids, edges with two equivalent O(7)Zn2Ni3 square pyramids,  an edgeedge with one O(1)MgNi3 trigonal pyramid, and edges with two equivalent O(4)ZnNi3 trigonal pyramids. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ni(2), and two equivalent Ni(3) atoms. is represented by the CIF card [CIF]
data_MgZn(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.960
_cell_length_b   7.188
_cell_length_c   7.294
_cell_angle_alpha   79.153
_cell_angle_beta   78.183
_cell_angle_gamma   77.806
_symmetry_Int_Tables_number   1
_cell_volume   146.754
_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  0.666  0.830  0.839  1.0
  Zn  Zn1  1  0.318  0.152  0.212  1.0
  Ni  Ni2  1  0.628  0.175  0.568  1.0
  Ni  Ni3  1  0.135  0.523  0.211  1.0
  Ni  Ni4  1  0.847  0.461  0.842  1.0
  Ni  Ni5  1  0.354  0.806  0.486  1.0
  O  O6  1  0.858  0.665  0.621  1.0
  O  O7  1  0.457  0.304  0.780  1.0
  O  O8  1  0.527  0.683  0.268  1.0
  O  O9  1  0.121  0.322  0.436  1.0
  O  O10  1  0.162  0.986  0.688  1.0
  O  O11  1  0.780  0.333  0.101  1.0
  O  O12  1  0.820  0.999  0.367  1.0
  O  O13  1  0.207  0.643  0.947  1.0
[/CIF]
.