The crystal structure described by SrCoO3 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(6), and three equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(4), and three equivalent O(6) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form edge-sharing CoO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Co(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Sr(2), one Co(1), one Co(2), and one Co(3) atom to form distorted OSrCo3 trigonal pyramids that share corners with two equivalent O(4)Sr5 square pyramids, corners with three equivalent O(6)Sr5 square pyramids, and corners with two equivalent O(3)SrCo3 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Sr(2) and three equivalent Sr(1) atoms to form distorted OSr5 square pyramids that share corners with four equivalent O(4)Sr5 square pyramids, corners with two equivalent O(3)SrCo3 trigonal pyramids, edges with two equivalent O(4)Sr5 square pyramids, and edges with six equivalent O(6)Sr5 square pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Co(3), and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Sr(1) and three equivalent Sr(2) atoms to form distorted OSr5 square pyramids that share corners with four equivalent O(6)Sr5 square pyramids, corners with three equivalent O(3)SrCo3 trigonal pyramids, edges with two equivalent O(6)Sr5 square pyramids, and edges with six equivalent O(4)Sr5 square pyramids. is represented by the CIF file [CIF]
data_SrCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.929
_cell_length_b   5.500
_cell_length_c   9.632
_cell_angle_alpha   89.641
_cell_angle_beta   84.256
_cell_angle_gamma   89.902
_symmetry_Int_Tables_number   1
_cell_volume   259.797
_cell_formula_units_Z   4
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  0.467  0.748  0.656  1.0
  Sr  Sr1  1  0.533  0.252  0.344  1.0
  Sr  Sr2  1  0.979  0.250  0.654  1.0
  Sr  Sr3  1  0.021  0.750  0.346  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.997  0.751  0.997  1.0
  Co  Co6  1  0.500  0.500  0.000  1.0
  Co  Co7  1  0.003  0.249  0.003  1.0
  O  O8  1  0.810  0.999  0.106  1.0
  O  O9  1  0.314  0.246  0.104  1.0
  O  O10  1  0.305  0.751  0.100  1.0
  O  O11  1  0.514  0.751  0.394  1.0
  O  O12  1  0.186  0.500  0.897  1.0
  O  O13  1  0.695  0.249  0.900  1.0
  O  O14  1  0.814  0.500  0.103  1.0
  O  O15  1  0.486  0.249  0.606  1.0
  O  O16  1  0.190  0.001  0.894  1.0
  O  O17  1  0.686  0.754  0.896  1.0
  O  O18  1  0.979  0.743  0.605  1.0
  O  O19  1  0.021  0.257  0.395  1.0
[/CIF]
.
The crystal structure described by SrCoO3 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(5), two equivalent O(6), and three equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(4), and three equivalent O(6) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form edge-sharing CoO6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Co(1), and two equivalent Co(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Sr(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Sr(2), one Co(1), one Co(2), and one Co(3) atom to form distorted OSrCo3 trigonal pyramids that share corners with two equivalent O(4)Sr5 square pyramids, corners with three equivalent O(6)Sr5 square pyramids, and corners with two equivalent O(3)SrCo3 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Sr(2) and three equivalent Sr(1) atoms to form distorted OSr5 square pyramids that share corners with four equivalent O(4)Sr5 square pyramids, corners with two equivalent O(3)SrCo3 trigonal pyramids, edges with two equivalent O(4)Sr5 square pyramids, and edges with six equivalent O(6)Sr5 square pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sr(1), one Sr(2), one Co(3), and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded to two equivalent Sr(1) and three equivalent Sr(2) atoms to form distorted OSr5 square pyramids that share corners with four equivalent O(6)Sr5 square pyramids, corners with three equivalent O(3)SrCo3 trigonal pyramids, edges with two equivalent O(6)Sr5 square pyramids, and edges with six equivalent O(4)Sr5 square pyramids. is represented by the CIF file [CIF]
data_SrCoO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.929
_cell_length_b   5.500
_cell_length_c   9.632
_cell_angle_alpha   89.641
_cell_angle_beta   84.256
_cell_angle_gamma   89.902
_symmetry_Int_Tables_number   1
_cell_volume   259.797
_cell_formula_units_Z   4
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  0.467  0.748  0.656  1.0
  Sr  Sr1  1  0.533  0.252  0.344  1.0
  Sr  Sr2  1  0.979  0.250  0.654  1.0
  Sr  Sr3  1  0.021  0.750  0.346  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.997  0.751  0.997  1.0
  Co  Co6  1  0.500  0.500  0.000  1.0
  Co  Co7  1  0.003  0.249  0.003  1.0
  O  O8  1  0.810  0.999  0.106  1.0
  O  O9  1  0.314  0.246  0.104  1.0
  O  O10  1  0.305  0.751  0.100  1.0
  O  O11  1  0.514  0.751  0.394  1.0
  O  O12  1  0.186  0.500  0.897  1.0
  O  O13  1  0.695  0.249  0.900  1.0
  O  O14  1  0.814  0.500  0.103  1.0
  O  O15  1  0.486  0.249  0.606  1.0
  O  O16  1  0.190  0.001  0.894  1.0
  O  O17  1  0.686  0.754  0.896  1.0
  O  O18  1  0.979  0.743  0.605  1.0
  O  O19  1  0.021  0.257  0.395  1.0
[/CIF]
.