The crystal structure described by Zn(NiO2)2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(6)O4 tetrahedra,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Ni(4)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O4 tetrahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form NiO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(10) and three equivalent O(4) atoms to form NiO4 tetrahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Ni(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Ni(5)O6 octahedra. In the sixth Ni site, Ni(6) is bonded to one O(6) and three equivalent O(11) atoms to form NiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Zn(5)O6 octahedra, and corners with six equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(9) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Zn(5)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the third Zn site, Zn(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Ni(4)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. In the fourth Zn site, Zn(4) is bonded to one O(5) and three equivalent O(7) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with six equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the fifth Zn site, Zn(5) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form ZnO6 octahedra that share corners with three equivalent Ni(6)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. In the sixth Zn site, Zn(6) is bonded to one O(12) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra, and corners with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1), one Zn(1), and one Zn(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Ni(1) and one Zn(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(2), one Zn(2), and one Zn(3) atom. In the fourth O site, O(4) is bonded to one Ni(4), two equivalent Ni(1), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OZnNi3 trigonal pyramids. In the fifth O site, O(5) is bonded to three equivalent Ni(2) and one Zn(4) atom to form distorted corner-sharing OZnNi3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ni(6) and three equivalent Ni(1) atoms. In the seventh O site, O(7) is bonded to one Ni(3), two equivalent Ni(5), and one Zn(4) atom to form a mixture of distorted edge and corner-sharing OZnNi3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Ni(3), two equivalent Ni(2), and one Zn(6) atom to form a mixture of distorted edge and corner-sharing OZnNi3 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni(5) and one Zn(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ni(4) and three equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ni(6), two equivalent Ni(5), and one Zn(5) atom. In the twelfth O site, O(12) is bonded to three equivalent Ni(5) and one Zn(6) atom to form distorted corner-sharing OZnNi3 trigonal pyramids. is represented by the CIF file [CIF]
data_Zn(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   5.893
_cell_length_c   14.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   436.355
_cell_formula_units_Z   6
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
  Zn  Zn0  1  0.667  0.333  0.954  1.0
  Zn  Zn1  1  0.333  0.667  0.620  1.0
  Zn  Zn2  1  0.000  0.000  0.667  1.0
  Zn  Zn3  1  0.000  0.000  0.289  1.0
  Zn  Zn4  1  0.333  0.667  0.001  1.0
  Zn  Zn5  1  0.333  0.667  0.376  1.0
  Ni  Ni6  1  0.167  0.335  0.834  1.0
  Ni  Ni7  1  0.665  0.833  0.834  1.0
  Ni  Ni8  1  0.833  0.667  0.499  1.0
  Ni  Ni9  1  0.167  0.833  0.834  1.0
  Ni  Ni10  1  0.333  0.167  0.499  1.0
  Ni  Ni11  1  0.667  0.333  0.334  1.0
  Ni  Ni12  1  0.667  0.333  0.714  1.0
  Ni  Ni13  1  0.501  0.002  0.167  1.0
  Ni  Ni14  1  0.833  0.167  0.499  1.0
  Ni  Ni15  1  0.998  0.499  0.167  1.0
  Ni  Ni16  1  0.501  0.499  0.167  1.0
  Ni  Ni17  1  0.000  0.000  0.044  1.0
  O  O18  1  0.485  0.971  0.906  1.0
  O  O19  1  0.333  0.667  0.754  1.0
  O  O20  1  0.029  0.515  0.906  1.0
  O  O21  1  0.485  0.515  0.906  1.0
  O  O22  1  0.153  0.307  0.572  1.0
  O  O23  1  0.846  0.154  0.762  1.0
  O  O24  1  0.000  0.000  0.424  1.0
  O  O25  1  0.307  0.154  0.762  1.0
  O  O26  1  0.000  0.000  0.916  1.0
  O  O27  1  0.693  0.847  0.572  1.0
  O  O28  1  0.153  0.847  0.572  1.0
  O  O29  1  0.846  0.693  0.762  1.0
  O  O30  1  0.817  0.634  0.247  1.0
  O  O31  1  0.517  0.483  0.423  1.0
  O  O32  1  0.966  0.483  0.423  1.0
  O  O33  1  0.667  0.333  0.092  1.0
  O  O34  1  0.667  0.333  0.576  1.0
  O  O35  1  0.366  0.183  0.247  1.0
  O  O36  1  0.817  0.183  0.247  1.0
  O  O37  1  0.517  0.034  0.423  1.0
  O  O38  1  0.174  0.826  0.091  1.0
  O  O39  1  0.653  0.826  0.091  1.0
  O  O40  1  0.333  0.667  0.239  1.0
  O  O41  1  0.174  0.347  0.091  1.0
[/CIF]
.
The crystal structure described by Zn(NiO2)2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(6)O4 tetrahedra,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Ni(4)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O4 tetrahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. In the third Ni site, Ni(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form NiO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. In the fourth Ni site, Ni(4) is bonded to one O(10) and three equivalent O(4) atoms to form NiO4 tetrahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the fifth Ni site, Ni(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form NiO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Ni(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Ni(5)O6 octahedra. In the sixth Ni site, Ni(6) is bonded to one O(6) and three equivalent O(11) atoms to form NiO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Zn(5)O6 octahedra, and corners with six equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(9) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(5)O6 octahedra, corners with three equivalent Zn(5)O6 octahedra, and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and corners with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the third Zn site, Zn(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Ni(4)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. In the fourth Zn site, Zn(4) is bonded to one O(5) and three equivalent O(7) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with six equivalent Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. In the fifth Zn site, Zn(5) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form ZnO6 octahedra that share corners with three equivalent Ni(6)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with three equivalent Ni(5)O6 octahedra. In the sixth Zn site, Zn(6) is bonded to one O(12) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra, and corners with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1), one Zn(1), and one Zn(5) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to three equivalent Ni(1) and one Zn(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(2), one Zn(2), and one Zn(3) atom. In the fourth O site, O(4) is bonded to one Ni(4), two equivalent Ni(1), and one Zn(3) atom to form a mixture of distorted edge and corner-sharing OZnNi3 trigonal pyramids. In the fifth O site, O(5) is bonded to three equivalent Ni(2) and one Zn(4) atom to form distorted corner-sharing OZnNi3 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Ni(6) and three equivalent Ni(1) atoms. In the seventh O site, O(7) is bonded to one Ni(3), two equivalent Ni(5), and one Zn(4) atom to form a mixture of distorted edge and corner-sharing OZnNi3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Ni(3), two equivalent Ni(2), and one Zn(6) atom to form a mixture of distorted edge and corner-sharing OZnNi3 trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ni(5) and one Zn(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ni(4) and three equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Ni(6), two equivalent Ni(5), and one Zn(5) atom. In the twelfth O site, O(12) is bonded to three equivalent Ni(5) and one Zn(6) atom to form distorted corner-sharing OZnNi3 trigonal pyramids. is represented by the CIF file [CIF]
data_Zn(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.893
_cell_length_b   5.893
_cell_length_c   14.510
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   436.355
_cell_formula_units_Z   6
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
  Zn  Zn0  1  0.667  0.333  0.954  1.0
  Zn  Zn1  1  0.333  0.667  0.620  1.0
  Zn  Zn2  1  0.000  0.000  0.667  1.0
  Zn  Zn3  1  0.000  0.000  0.289  1.0
  Zn  Zn4  1  0.333  0.667  0.001  1.0
  Zn  Zn5  1  0.333  0.667  0.376  1.0
  Ni  Ni6  1  0.167  0.335  0.834  1.0
  Ni  Ni7  1  0.665  0.833  0.834  1.0
  Ni  Ni8  1  0.833  0.667  0.499  1.0
  Ni  Ni9  1  0.167  0.833  0.834  1.0
  Ni  Ni10  1  0.333  0.167  0.499  1.0
  Ni  Ni11  1  0.667  0.333  0.334  1.0
  Ni  Ni12  1  0.667  0.333  0.714  1.0
  Ni  Ni13  1  0.501  0.002  0.167  1.0
  Ni  Ni14  1  0.833  0.167  0.499  1.0
  Ni  Ni15  1  0.998  0.499  0.167  1.0
  Ni  Ni16  1  0.501  0.499  0.167  1.0
  Ni  Ni17  1  0.000  0.000  0.044  1.0
  O  O18  1  0.485  0.971  0.906  1.0
  O  O19  1  0.333  0.667  0.754  1.0
  O  O20  1  0.029  0.515  0.906  1.0
  O  O21  1  0.485  0.515  0.906  1.0
  O  O22  1  0.153  0.307  0.572  1.0
  O  O23  1  0.846  0.154  0.762  1.0
  O  O24  1  0.000  0.000  0.424  1.0
  O  O25  1  0.307  0.154  0.762  1.0
  O  O26  1  0.000  0.000  0.916  1.0
  O  O27  1  0.693  0.847  0.572  1.0
  O  O28  1  0.153  0.847  0.572  1.0
  O  O29  1  0.846  0.693  0.762  1.0
  O  O30  1  0.817  0.634  0.247  1.0
  O  O31  1  0.517  0.483  0.423  1.0
  O  O32  1  0.966  0.483  0.423  1.0
  O  O33  1  0.667  0.333  0.092  1.0
  O  O34  1  0.667  0.333  0.576  1.0
  O  O35  1  0.366  0.183  0.247  1.0
  O  O36  1  0.817  0.183  0.247  1.0
  O  O37  1  0.517  0.034  0.423  1.0
  O  O38  1  0.174  0.826  0.091  1.0
  O  O39  1  0.653  0.826  0.091  1.0
  O  O40  1  0.333  0.667  0.239  1.0
  O  O41  1  0.174  0.347  0.091  1.0
[/CIF]
.