The material structure described by NiZnAs2O7 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form NiO5 trigonal bipyramids that share corners with two equivalent As(1)O4 tetrahedra, corners with three equivalent As(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra, corners with three equivalent As(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent Ni(1)O5 trigonal bipyramids. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form AsO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra,  a cornercorner with one As(2)O4 tetrahedra, and corners with two equivalent Ni(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 53-54°. In the second As site, As(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, and corners with three equivalent Ni(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-56°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one As(2) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one As(1) atom. In the third O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Zn(1), and one As(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one As(2) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one As(1) atom. In the sixth O site, O(3) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one As(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one As(1) and one As(2) atom. is represented by the CIF card [CIF]
data_ZnNiAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.506
_cell_length_b   7.173
_cell_length_c   9.544
_cell_angle_alpha   65.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   531.666
_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  0.065  0.735  0.887  1.0
  Zn  Zn1  1  0.565  0.265  0.613  1.0
  Zn  Zn2  1  0.935  0.265  0.113  1.0
  Zn  Zn3  1  0.435  0.735  0.387  1.0
  Ni  Ni4  1  0.934  0.191  0.678  1.0
  Ni  Ni5  1  0.434  0.809  0.822  1.0
  Ni  Ni6  1  0.066  0.809  0.322  1.0
  Ni  Ni7  1  0.566  0.191  0.178  1.0
  As  As8  1  0.761  0.550  0.766  1.0
  As  As9  1  0.261  0.450  0.734  1.0
  As  As10  1  0.239  0.450  0.234  1.0
  As  As11  1  0.739  0.550  0.266  1.0
  As  As12  1  0.724  0.975  0.964  1.0
  As  As13  1  0.224  0.025  0.536  1.0
  As  As14  1  0.276  0.025  0.036  1.0
  As  As15  1  0.776  0.975  0.464  1.0
  O  O16  1  0.739  0.131  0.057  1.0
  O  O17  1  0.239  0.869  0.443  1.0
  O  O18  1  0.261  0.869  0.943  1.0
  O  O19  1  0.761  0.131  0.557  1.0
  O  O20  1  0.586  0.613  0.811  1.0
  O  O21  1  0.086  0.387  0.689  1.0
  O  O22  1  0.414  0.387  0.189  1.0
  O  O23  1  0.914  0.613  0.311  1.0
  O  O24  1  0.903  0.522  0.897  1.0
  O  O25  1  0.403  0.478  0.603  1.0
  O  O26  1  0.097  0.478  0.103  1.0
  O  O27  1  0.597  0.522  0.397  1.0
  O  O28  1  0.834  0.735  0.594  1.0
  O  O29  1  0.334  0.265  0.906  1.0
  O  O30  1  0.166  0.265  0.406  1.0
  O  O31  1  0.666  0.735  0.094  1.0
  O  O32  1  0.929  0.021  0.342  1.0
  O  O33  1  0.429  0.979  0.158  1.0
  O  O34  1  0.071  0.979  0.658  1.0
  O  O35  1  0.571  0.021  0.842  1.0
  O  O36  1  0.747  0.345  0.220  1.0
  O  O37  1  0.247  0.655  0.280  1.0
  O  O38  1  0.253  0.655  0.780  1.0
  O  O39  1  0.753  0.345  0.720  1.0
  O  O40  1  0.602  0.956  0.385  1.0
  O  O41  1  0.102  0.044  0.115  1.0
  O  O42  1  0.398  0.044  0.615  1.0
  O  O43  1  0.898  0.956  0.885  1.0
[/CIF]
.
The material structure described by NiZnAs2O7 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one O(7) atom to form NiO5 trigonal bipyramids that share corners with two equivalent As(1)O4 tetrahedra, corners with three equivalent As(2)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(5), one O(6), one O(7), and two equivalent O(3) atoms to form distorted ZnO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra, corners with three equivalent As(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent Ni(1)O5 trigonal bipyramids. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form AsO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra,  a cornercorner with one As(2)O4 tetrahedra, and corners with two equivalent Ni(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 53-54°. In the second As site, As(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form AsO4 tetrahedra that share corners with three equivalent Zn(1)O6 octahedra,  a cornercorner with one As(1)O4 tetrahedra, and corners with three equivalent Ni(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 39-56°. There are seven inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one As(2) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one As(1) atom. In the third O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one Zn(1), and one As(2) atom. In the fourth O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one As(2) atom. In the fifth O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one As(1) atom. In the sixth O site, O(3) is bonded in a trigonal planar geometry to two equivalent Zn(1) and one As(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one As(1) and one As(2) atom. is represented by the CIF card [CIF]
data_ZnNiAs2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.506
_cell_length_b   7.173
_cell_length_c   9.544
_cell_angle_alpha   65.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   531.666
_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  0.065  0.735  0.887  1.0
  Zn  Zn1  1  0.565  0.265  0.613  1.0
  Zn  Zn2  1  0.935  0.265  0.113  1.0
  Zn  Zn3  1  0.435  0.735  0.387  1.0
  Ni  Ni4  1  0.934  0.191  0.678  1.0
  Ni  Ni5  1  0.434  0.809  0.822  1.0
  Ni  Ni6  1  0.066  0.809  0.322  1.0
  Ni  Ni7  1  0.566  0.191  0.178  1.0
  As  As8  1  0.761  0.550  0.766  1.0
  As  As9  1  0.261  0.450  0.734  1.0
  As  As10  1  0.239  0.450  0.234  1.0
  As  As11  1  0.739  0.550  0.266  1.0
  As  As12  1  0.724  0.975  0.964  1.0
  As  As13  1  0.224  0.025  0.536  1.0
  As  As14  1  0.276  0.025  0.036  1.0
  As  As15  1  0.776  0.975  0.464  1.0
  O  O16  1  0.739  0.131  0.057  1.0
  O  O17  1  0.239  0.869  0.443  1.0
  O  O18  1  0.261  0.869  0.943  1.0
  O  O19  1  0.761  0.131  0.557  1.0
  O  O20  1  0.586  0.613  0.811  1.0
  O  O21  1  0.086  0.387  0.689  1.0
  O  O22  1  0.414  0.387  0.189  1.0
  O  O23  1  0.914  0.613  0.311  1.0
  O  O24  1  0.903  0.522  0.897  1.0
  O  O25  1  0.403  0.478  0.603  1.0
  O  O26  1  0.097  0.478  0.103  1.0
  O  O27  1  0.597  0.522  0.397  1.0
  O  O28  1  0.834  0.735  0.594  1.0
  O  O29  1  0.334  0.265  0.906  1.0
  O  O30  1  0.166  0.265  0.406  1.0
  O  O31  1  0.666  0.735  0.094  1.0
  O  O32  1  0.929  0.021  0.342  1.0
  O  O33  1  0.429  0.979  0.158  1.0
  O  O34  1  0.071  0.979  0.658  1.0
  O  O35  1  0.571  0.021  0.842  1.0
  O  O36  1  0.747  0.345  0.220  1.0
  O  O37  1  0.247  0.655  0.280  1.0
  O  O38  1  0.253  0.655  0.780  1.0
  O  O39  1  0.753  0.345  0.720  1.0
  O  O40  1  0.602  0.956  0.385  1.0
  O  O41  1  0.102  0.044  0.115  1.0
  O  O42  1  0.398  0.044  0.615  1.0
  O  O43  1  0.898  0.956  0.885  1.0
[/CIF]
.