The material structure described by SrCoO3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(10), two equivalent O(5), two equivalent O(6), two equivalent O(9), and four equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Co(3)O6 octahedra, and faces with four equivalent Co(4)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Co(4)O6 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent O(11), two equivalent O(12), two equivalent O(7), two equivalent O(8), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to two equivalent O(12), two equivalent O(5), two equivalent O(8), two equivalent O(9), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(4)O12 cuboctahedra, faces with four equivalent Co(2)O6 octahedra, and faces with four equivalent Co(3)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(11), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Co site, Co(2) is bonded to one O(3), one O(4), two equivalent O(12), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with four equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Co site, Co(3) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(9) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), two equivalent O(10), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(2), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(3), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(4), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Co(3) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(4) atoms to form a mixture of distorted corner and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the seventh O site, O(7) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the eighth O site, O(8) is bonded to two equivalent Sr(3), two equivalent Sr(4), and two equivalent Co(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Co(3) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(4) atoms. In the eleventh O site, O(11) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the twelfth O site, O(12) is bonded to two equivalent Sr(3), two equivalent Sr(4), and two equivalent Co(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.843
_cell_length_b   3.875
_cell_length_c   3.897
_cell_angle_alpha   89.570
_cell_angle_beta   89.959
_cell_angle_gamma   90.041
_symmetry_Int_Tables_number   1
_cell_volume   58.046
_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
  Co  Co0  1  0.998  0.000  1.000  1.0
  O  O1  1  0.501  1.000  1.000  1.0
  O  O2  1  0.001  0.000  0.500  1.0
  O  O3  1  0.001  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by SrCoO3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(10), two equivalent O(5), two equivalent O(6), two equivalent O(9), and four equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Co(3)O6 octahedra, and faces with four equivalent Co(4)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(10), two equivalent O(11), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Co(4)O6 octahedra. In the third Sr site, Sr(3) is bonded to two equivalent O(11), two equivalent O(12), two equivalent O(7), two equivalent O(8), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Co(1)O6 octahedra, and faces with four equivalent Co(2)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to two equivalent O(12), two equivalent O(5), two equivalent O(8), two equivalent O(9), and four equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra, faces with four equivalent Sr(4)O12 cuboctahedra, faces with four equivalent Co(2)O6 octahedra, and faces with four equivalent Co(3)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(11), and two equivalent O(7) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, faces with four equivalent Sr(2)O12 cuboctahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Co site, Co(2) is bonded to one O(3), one O(4), two equivalent O(12), and two equivalent O(8) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, faces with four equivalent Sr(3)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the third Co site, Co(3) is bonded to one O(1), one O(4), two equivalent O(5), and two equivalent O(9) atoms to form CoO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, corners with four equivalent Co(3)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), two equivalent O(10), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with four equivalent Co(4)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Sr(1), one Co(3), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(2), one Co(1), and one Co(4) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(3), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to four equivalent Sr(4), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Co(3) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(4) atoms to form a mixture of distorted corner and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the seventh O site, O(7) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the eighth O site, O(8) is bonded to two equivalent Sr(3), two equivalent Sr(4), and two equivalent Co(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the ninth O site, O(9) is bonded to two equivalent Sr(1), two equivalent Sr(4), and two equivalent Co(3) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the tenth O site, O(10) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Co(4) atoms. In the eleventh O site, O(11) is bonded to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Co(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the twelfth O site, O(12) is bonded to two equivalent Sr(3), two equivalent Sr(4), and two equivalent Co(2) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.843
_cell_length_b   3.875
_cell_length_c   3.897
_cell_angle_alpha   89.570
_cell_angle_beta   89.959
_cell_angle_gamma   90.041
_symmetry_Int_Tables_number   1
_cell_volume   58.046
_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
  Co  Co0  1  0.998  0.000  1.000  1.0
  O  O1  1  0.501  1.000  1.000  1.0
  O  O2  1  0.001  0.000  0.500  1.0
  O  O3  1  0.001  0.500  0.000  1.0
  Sr  Sr4  1  0.500  0.500  0.500  1.0
[/CIF]
.