The material structure described by SrNiO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(6), one O(8), two equivalent O(5), four equivalent O(1), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ni(2)O6 octahedra, faces with two equivalent Ni(4)O6 octahedra, and faces with four equivalent Ni(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(5), one O(7), two equivalent O(6), four equivalent O(1), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with two equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ni(1)O6 octahedra, faces with two equivalent Ni(3)O6 octahedra, and faces with four equivalent Ni(4)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(6), one O(8), two equivalent O(7), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ni(2)O6 octahedra, faces with two equivalent Ni(4)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(5), one O(7), two equivalent O(8), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with two equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ni(1)O6 octahedra, faces with two equivalent Ni(3)O6 octahedra, and faces with four equivalent Ni(2)O6 octahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ni(3), and one Ni(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Ni(1), and one Ni(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(3), two equivalent Sr(4), one Ni(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(4), one Ni(2), and one Ni(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-63°. In the fifth O site, O(5) is bonded to one Sr(2), one Sr(4), two equivalent Sr(1), and two equivalent Ni(3) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), and two equivalent Ni(4) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), two equivalent Sr(3), and two equivalent Ni(1) atoms. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(4), and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_SrNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   3.906
_cell_length_c   3.907
_cell_angle_alpha   89.159
_cell_angle_beta   89.997
_cell_angle_gamma   89.957
_symmetry_Int_Tables_number   1
_cell_volume   59.406
_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
  Ni  Ni0  1  0.500  0.500  1.000  1.0
  O  O1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.000  1.000  1.0
  O  O3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  1.000  0.000  0.500  1.0
[/CIF]
.
The material structure described by SrNiO3 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pmm2 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(6), one O(8), two equivalent O(5), four equivalent O(1), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ni(2)O6 octahedra, faces with two equivalent Ni(4)O6 octahedra, and faces with four equivalent Ni(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(5), one O(7), two equivalent O(6), four equivalent O(1), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with two equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ni(1)O6 octahedra, faces with two equivalent Ni(3)O6 octahedra, and faces with four equivalent Ni(4)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(6), one O(8), two equivalent O(7), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, corners with two equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ni(2)O6 octahedra, faces with two equivalent Ni(4)O6 octahedra, and faces with four equivalent Ni(1)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(5), one O(7), two equivalent O(8), four equivalent O(3), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, corners with two equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ni(1)O6 octahedra, faces with two equivalent Ni(3)O6 octahedra, and faces with four equivalent Ni(2)O6 octahedra. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(8) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Ni(3), and one Ni(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the second O site, O(2) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Ni(1), and one Ni(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(3), two equivalent Sr(4), one Ni(1), and one Ni(2) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(4), one Ni(2), and one Ni(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 1-63°. In the fifth O site, O(5) is bonded to one Sr(2), one Sr(4), two equivalent Sr(1), and two equivalent Ni(3) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), and two equivalent Ni(4) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 2-61°. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), two equivalent Sr(3), and two equivalent Ni(1) atoms. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), two equivalent Sr(4), and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_SrNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.893
_cell_length_b   3.906
_cell_length_c   3.907
_cell_angle_alpha   89.159
_cell_angle_beta   89.997
_cell_angle_gamma   89.957
_symmetry_Int_Tables_number   1
_cell_volume   59.406
_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
  Ni  Ni0  1  0.500  0.500  1.000  1.0
  O  O1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.500  0.000  1.000  1.0
  O  O3  1  0.000  0.500  0.000  1.0
  Sr  Sr4  1  1.000  0.000  0.500  1.0
[/CIF]
.