The material structure described by NiCu2SnO4 crystallizes in the monoclinic P2/m space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with four equivalent Sn(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(1) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share edges with two equivalent Sn(1)O6 octahedra and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one Cu(2), and one Sn(1) atom to form distorted OCuNi2Sn tetrahedra that share corners with four equivalent O(2)CuNiSn2 tetrahedra, corners with six equivalent O(1)CuNi2Sn tetrahedra,  an edgeedge with one O(1)CuNi2Sn tetrahedra, and edges with two equivalent O(2)CuNiSn2 tetrahedra. In the second O site, O(2) is bonded to one Ni(1), one Cu(1), and two equivalent Sn(1) atoms to form distorted OCuNiSn2 tetrahedra that share corners with four equivalent O(1)CuNi2Sn tetrahedra, corners with six equivalent O(2)CuNiSn2 tetrahedra,  an edgeedge with one O(2)CuNiSn2 tetrahedra, and edges with two equivalent O(1)CuNi2Sn tetrahedra. is represented by the CIF file [CIF]
data_Cu2NiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.204
_cell_length_b   5.421
_cell_length_c   6.086
_cell_angle_alpha   107.509
_cell_angle_beta   90.015
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   100.828
_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
  Cu  Cu0  1  0.000  1.000  1.000  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  1.000  0.500  0.500  1.0
  O  O3  1  0.500  0.389  0.679  1.0
  O  O4  1  0.500  0.611  0.321  1.0
  O  O5  1  0.000  0.895  0.682  1.0
  O  O6  1  1.000  0.105  0.318  1.0
  Sn  Sn7  1  0.500  1.000  0.500  1.0
[/CIF]
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The material structure described by NiCu2SnO4 crystallizes in the monoclinic P2/m space group. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra and edges with four equivalent Sn(1)O6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(1) atoms. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 octahedra that share edges with two equivalent Sn(1)O6 octahedra and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1), one Cu(2), and one Sn(1) atom to form distorted OCuNi2Sn tetrahedra that share corners with four equivalent O(2)CuNiSn2 tetrahedra, corners with six equivalent O(1)CuNi2Sn tetrahedra,  an edgeedge with one O(1)CuNi2Sn tetrahedra, and edges with two equivalent O(2)CuNiSn2 tetrahedra. In the second O site, O(2) is bonded to one Ni(1), one Cu(1), and two equivalent Sn(1) atoms to form distorted OCuNiSn2 tetrahedra that share corners with four equivalent O(1)CuNi2Sn tetrahedra, corners with six equivalent O(2)CuNiSn2 tetrahedra,  an edgeedge with one O(2)CuNiSn2 tetrahedra, and edges with two equivalent O(1)CuNi2Sn tetrahedra. is represented by the CIF file [CIF]
data_Cu2NiSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.204
_cell_length_b   5.421
_cell_length_c   6.086
_cell_angle_alpha   107.509
_cell_angle_beta   90.015
_cell_angle_gamma   90.010
_symmetry_Int_Tables_number   1
_cell_volume   100.828
_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
  Cu  Cu0  1  0.000  1.000  1.000  1.0
  Cu  Cu1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  1.000  0.500  0.500  1.0
  O  O3  1  0.500  0.389  0.679  1.0
  O  O4  1  0.500  0.611  0.321  1.0
  O  O5  1  0.000  0.895  0.682  1.0
  O  O6  1  1.000  0.105  0.318  1.0
  Sn  Sn7  1  0.500  1.000  0.500  1.0
[/CIF]
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