The material structure described by NiSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with nine equivalent Sn(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. Sn(1) is bonded to six equivalent O(1) atoms to form distorted SnO6 octahedra that share corners with nine equivalent Ni(1)O6 octahedra, edges with three equivalent Sn(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. O(1) is bonded to two equivalent Ni(1) and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing ONi2Sn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.317
_cell_length_b   5.317
_cell_length_c   5.629
_cell_angle_alpha   118.180
_cell_angle_beta   89.997
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.533
_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
  Ni  Ni0  1  0.353  0.707  0.060  1.0
  Ni  Ni1  1  0.647  0.293  0.940  1.0
  O  O2  1  0.753  0.202  0.252  1.0
  O  O3  1  0.050  0.802  0.252  1.0
  O  O4  1  0.550  0.501  0.748  1.0
  O  O5  1  0.450  0.499  0.252  1.0
  O  O6  1  0.950  0.198  0.748  1.0
  O  O7  1  0.247  0.798  0.748  1.0
  Sn  Sn8  1  0.146  0.292  0.439  1.0
  Sn  Sn9  1  0.854  0.708  0.561  1.0
[/CIF]
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The material structure described by NiSnO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with nine equivalent Sn(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and  a faceface with one Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. Sn(1) is bonded to six equivalent O(1) atoms to form distorted SnO6 octahedra that share corners with nine equivalent Ni(1)O6 octahedra, edges with three equivalent Sn(1)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-62°. O(1) is bonded to two equivalent Ni(1) and two equivalent Sn(1) atoms to form a mixture of distorted edge and corner-sharing ONi2Sn2 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiSnO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.317
_cell_length_b   5.317
_cell_length_c   5.629
_cell_angle_alpha   118.180
_cell_angle_beta   89.997
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   115.533
_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
  Ni  Ni0  1  0.353  0.707  0.060  1.0
  Ni  Ni1  1  0.647  0.293  0.940  1.0
  O  O2  1  0.753  0.202  0.252  1.0
  O  O3  1  0.050  0.802  0.252  1.0
  O  O4  1  0.550  0.501  0.748  1.0
  O  O5  1  0.450  0.499  0.252  1.0
  O  O6  1  0.950  0.198  0.748  1.0
  O  O7  1  0.247  0.798  0.748  1.0
  Sn  Sn8  1  0.146  0.292  0.439  1.0
  Sn  Sn9  1  0.854  0.708  0.561  1.0
[/CIF]
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