The compound described by SrNiO3 is (Cubic) Perovskite structured and crystallizes in the monoclinic C2 space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Ni(1) atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-62°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Ni(1) atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF card [CIF]
data_SrNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.854
_cell_length_b   3.854
_cell_length_c   3.839
_cell_angle_alpha   89.992
_cell_angle_beta   89.992
_cell_angle_gamma   90.224
_symmetry_Int_Tables_number   1
_cell_volume   57.024
_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
  Sr  Sr0  1  0.502  0.498  0.000  1.0
  Ni  Ni1  1  0.991  0.009  0.500  1.0
  O  O2  1  0.507  0.997  0.519  1.0
  O  O3  1  0.003  0.493  0.481  1.0
  O  O4  1  0.015  0.985  0.000  1.0
[/CIF]
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The compound described by SrNiO3 is (Cubic) Perovskite structured and crystallizes in the monoclinic C2 space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Ni(1) atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-62°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Ni(1) atoms to form a mixture of distorted face, edge, and corner-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. is represented by the CIF card [CIF]
data_SrNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.854
_cell_length_b   3.854
_cell_length_c   3.839
_cell_angle_alpha   89.992
_cell_angle_beta   89.992
_cell_angle_gamma   90.224
_symmetry_Int_Tables_number   1
_cell_volume   57.024
_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
  Sr  Sr0  1  0.502  0.498  0.000  1.0
  Ni  Ni1  1  0.991  0.009  0.500  1.0
  O  O2  1  0.507  0.997  0.519  1.0
  O  O3  1  0.003  0.493  0.481  1.0
  O  O4  1  0.015  0.985  0.000  1.0
[/CIF]
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