The compound described by Ni3ZnO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NiO5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NiO5 trigonal bipyramids. Zn(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(2) and one Zn(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one Zn(1) atom. In the third O site, O(1) is bonded to one Ni(2), two equivalent Ni(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 trigonal pyramids. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnNi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.278
_cell_length_b   10.094
_cell_length_c   10.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   547.220
_cell_formula_units_Z   4
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  0.643  0.750  0.080  1.0
  Zn  Zn1  1  0.143  0.250  0.420  1.0
  Zn  Zn2  1  0.357  0.250  0.920  1.0
  Zn  Zn3  1  0.857  0.750  0.580  1.0
  Ni  Ni4  1  0.294  0.025  0.695  1.0
  Ni  Ni5  1  0.794  0.975  0.805  1.0
  Ni  Ni6  1  0.706  0.525  0.305  1.0
  Ni  Ni7  1  0.206  0.475  0.195  1.0
  Ni  Ni8  1  0.310  0.750  0.757  1.0
  Ni  Ni9  1  0.810  0.250  0.743  1.0
  Ni  Ni10  1  0.690  0.250  0.243  1.0
  Ni  Ni11  1  0.190  0.750  0.257  1.0
  Ni  Ni12  1  0.794  0.525  0.805  1.0
  Ni  Ni13  1  0.294  0.475  0.695  1.0
  Ni  Ni14  1  0.206  0.025  0.195  1.0
  Ni  Ni15  1  0.706  0.975  0.305  1.0
  O  O16  1  0.944  0.123  0.287  1.0
  O  O17  1  0.444  0.877  0.213  1.0
  O  O18  1  0.056  0.623  0.713  1.0
  O  O19  1  0.556  0.377  0.787  1.0
  O  O20  1  0.056  0.877  0.713  1.0
  O  O21  1  0.556  0.123  0.787  1.0
  O  O22  1  0.944  0.377  0.287  1.0
  O  O23  1  0.444  0.623  0.213  1.0
  O  O24  1  0.459  0.120  0.294  1.0
  O  O25  1  0.959  0.880  0.206  1.0
  O  O26  1  0.541  0.620  0.706  1.0
  O  O27  1  0.041  0.380  0.794  1.0
  O  O28  1  0.541  0.880  0.706  1.0
  O  O29  1  0.041  0.120  0.794  1.0
  O  O30  1  0.459  0.380  0.294  1.0
  O  O31  1  0.959  0.620  0.206  1.0
  O  O32  1  0.144  0.750  0.441  1.0
  O  O33  1  0.644  0.250  0.059  1.0
  O  O34  1  0.856  0.250  0.559  1.0
  O  O35  1  0.356  0.750  0.941  1.0
  O  O36  1  0.251  0.400  0.035  1.0
  O  O37  1  0.751  0.601  0.465  1.0
  O  O38  1  0.749  0.899  0.965  1.0
  O  O39  1  0.249  0.101  0.535  1.0
  O  O40  1  0.749  0.601  0.965  1.0
  O  O41  1  0.249  0.400  0.535  1.0
  O  O42  1  0.251  0.101  0.035  1.0
  O  O43  1  0.751  0.899  0.465  1.0
[/CIF]
.
The compound described by Ni3ZnO7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NiO5 trigonal bipyramids. In the second Ni site, Ni(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing NiO5 trigonal bipyramids. Zn(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to one Ni(2) and one Zn(1) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one Zn(1) atom. In the third O site, O(1) is bonded to one Ni(2), two equivalent Ni(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 trigonal pyramids. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Ni(2), two equivalent Ni(1), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnNi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.278
_cell_length_b   10.094
_cell_length_c   10.271
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   547.220
_cell_formula_units_Z   4
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  0.643  0.750  0.080  1.0
  Zn  Zn1  1  0.143  0.250  0.420  1.0
  Zn  Zn2  1  0.357  0.250  0.920  1.0
  Zn  Zn3  1  0.857  0.750  0.580  1.0
  Ni  Ni4  1  0.294  0.025  0.695  1.0
  Ni  Ni5  1  0.794  0.975  0.805  1.0
  Ni  Ni6  1  0.706  0.525  0.305  1.0
  Ni  Ni7  1  0.206  0.475  0.195  1.0
  Ni  Ni8  1  0.310  0.750  0.757  1.0
  Ni  Ni9  1  0.810  0.250  0.743  1.0
  Ni  Ni10  1  0.690  0.250  0.243  1.0
  Ni  Ni11  1  0.190  0.750  0.257  1.0
  Ni  Ni12  1  0.794  0.525  0.805  1.0
  Ni  Ni13  1  0.294  0.475  0.695  1.0
  Ni  Ni14  1  0.206  0.025  0.195  1.0
  Ni  Ni15  1  0.706  0.975  0.305  1.0
  O  O16  1  0.944  0.123  0.287  1.0
  O  O17  1  0.444  0.877  0.213  1.0
  O  O18  1  0.056  0.623  0.713  1.0
  O  O19  1  0.556  0.377  0.787  1.0
  O  O20  1  0.056  0.877  0.713  1.0
  O  O21  1  0.556  0.123  0.787  1.0
  O  O22  1  0.944  0.377  0.287  1.0
  O  O23  1  0.444  0.623  0.213  1.0
  O  O24  1  0.459  0.120  0.294  1.0
  O  O25  1  0.959  0.880  0.206  1.0
  O  O26  1  0.541  0.620  0.706  1.0
  O  O27  1  0.041  0.380  0.794  1.0
  O  O28  1  0.541  0.880  0.706  1.0
  O  O29  1  0.041  0.120  0.794  1.0
  O  O30  1  0.459  0.380  0.294  1.0
  O  O31  1  0.959  0.620  0.206  1.0
  O  O32  1  0.144  0.750  0.441  1.0
  O  O33  1  0.644  0.250  0.059  1.0
  O  O34  1  0.856  0.250  0.559  1.0
  O  O35  1  0.356  0.750  0.941  1.0
  O  O36  1  0.251  0.400  0.035  1.0
  O  O37  1  0.751  0.601  0.465  1.0
  O  O38  1  0.749  0.899  0.965  1.0
  O  O39  1  0.249  0.101  0.535  1.0
  O  O40  1  0.749  0.601  0.965  1.0
  O  O41  1  0.249  0.400  0.535  1.0
  O  O42  1  0.251  0.101  0.035  1.0
  O  O43  1  0.751  0.899  0.465  1.0
[/CIF]
.