The structure described by NiZn2SbO6 is pyrite-derived structured and crystallizes in the monoclinic P2_1/m space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-81°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-48°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one Zn(2), and one Sb(1) atom. In the third O site, O(3) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(1) atoms to form OZn2Sb2 tetrahedra that share corners with two equivalent O(3)Zn2Sb2 tetrahedra and corners with two equivalent O(4)Zn2Ni2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Ni(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Ni2 trigonal pyramids that share corners with two equivalent O(3)Zn2Sb2 tetrahedra and corners with two equivalent O(4)Zn2Ni2 trigonal pyramids. is represented by the CIF file [CIF]
data_Zn2NiSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.617
_cell_length_b   5.265
_cell_length_c   5.296
_cell_angle_alpha   87.040
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.138
_cell_formula_units_Z   2
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  0.250  0.558  0.480  1.0
  Zn  Zn1  1  0.750  0.442  0.520  1.0
  Zn  Zn2  1  0.250  0.021  0.968  1.0
  Zn  Zn3  1  0.750  0.979  0.032  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.500  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.565  0.677  0.671  1.0
  O  O9  1  0.931  0.188  0.837  1.0
  O  O10  1  0.065  0.323  0.329  1.0
  O  O11  1  0.431  0.812  0.163  1.0
  O  O12  1  0.569  0.188  0.837  1.0
  O  O13  1  0.069  0.812  0.163  1.0
  O  O14  1  0.750  0.587  0.131  1.0
  O  O15  1  0.935  0.677  0.671  1.0
  O  O16  1  0.250  0.915  0.610  1.0
  O  O17  1  0.435  0.323  0.329  1.0
  O  O18  1  0.250  0.413  0.869  1.0
  O  O19  1  0.750  0.085  0.390  1.0
[/CIF]
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The structure described by NiZn2SbO6 is pyrite-derived structured and crystallizes in the monoclinic P2_1/m space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Sb(1)O6 octahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-46°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(1) atoms. In the second Zn site, Zn(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form distorted ZnO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-81°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-48°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one Zn(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one Zn(2), and one Sb(1) atom. In the third O site, O(3) is bonded to one Zn(1), one Zn(2), and two equivalent Sb(1) atoms to form OZn2Sb2 tetrahedra that share corners with two equivalent O(3)Zn2Sb2 tetrahedra and corners with two equivalent O(4)Zn2Ni2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Ni(1), one Zn(1), and one Zn(2) atom to form distorted OZn2Ni2 trigonal pyramids that share corners with two equivalent O(3)Zn2Sb2 tetrahedra and corners with two equivalent O(4)Zn2Ni2 trigonal pyramids. is represented by the CIF file [CIF]
data_Zn2NiSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.617
_cell_length_b   5.265
_cell_length_c   5.296
_cell_angle_alpha   87.040
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   212.138
_cell_formula_units_Z   2
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  0.250  0.558  0.480  1.0
  Zn  Zn1  1  0.750  0.442  0.520  1.0
  Zn  Zn2  1  0.250  0.021  0.968  1.0
  Zn  Zn3  1  0.750  0.979  0.032  1.0
  Ni  Ni4  1  0.500  0.000  0.500  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  Sb  Sb6  1  0.500  0.500  0.000  1.0
  Sb  Sb7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.565  0.677  0.671  1.0
  O  O9  1  0.931  0.188  0.837  1.0
  O  O10  1  0.065  0.323  0.329  1.0
  O  O11  1  0.431  0.812  0.163  1.0
  O  O12  1  0.569  0.188  0.837  1.0
  O  O13  1  0.069  0.812  0.163  1.0
  O  O14  1  0.750  0.587  0.131  1.0
  O  O15  1  0.935  0.677  0.671  1.0
  O  O16  1  0.250  0.915  0.610  1.0
  O  O17  1  0.435  0.323  0.329  1.0
  O  O18  1  0.250  0.413  0.869  1.0
  O  O19  1  0.750  0.085  0.390  1.0
[/CIF]
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