The crystal structure described by SrCuO3 crystallizes in the monoclinic Pm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(7), one O(8), two equivalent O(11), four equivalent O(1), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Cu(1)O6 octahedra, faces with two equivalent Cu(2)O6 octahedra, and faces with four equivalent Cu(5)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(10), one O(9), two equivalent O(11), four equivalent O(4), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Cu(3)O6 octahedra, faces with two equivalent Cu(4)O6 octahedra, and faces with four equivalent Cu(5)O6 octahedra. In the third Sr site, Sr(3) is bonded in a 11-coordinate geometry to one O(11), one O(8), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 11-coordinate geometry to one O(10), one O(11), one O(7), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the third Cu site, Cu(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent Cu(4)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra, and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(11) atoms to form CuO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Cu(1), and one Cu(5) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(6)Sr4Cu2 octahedra, corners with two equivalent O(1)Sr4Cu2 octahedra, corners with two equivalent O(11)Sr4Cu2 octahedra, corners with two equivalent O(4)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr4Cu2 octahedra, corners with two equivalent O(7)Sr3Cu2 square pyramids, corners with two equivalent O(9)Sr3Cu2 square pyramids,  an edgeedge with one O(3)Sr4Cu2 octahedra, edges with two equivalent O(1)Sr4Cu2 octahedra,  a faceface with one O(1)Sr4Cu2 octahedra,  a faceface with one O(3)Sr4Cu2 octahedra,  a faceface with one O(4)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4Cu2 octahedra, and faces with two equivalent O(8)Sr3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-63°. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Sr(3), two equivalent Sr(4), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(4), one Cu(2), and one Cu(5) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(4)Sr4Cu2 octahedra, corners with two equivalent O(11)Sr4Cu2 octahedra, corners with two equivalent O(3)Sr4Cu2 octahedra, corners with two equivalent O(6)Sr4Cu2 octahedra, corners with four equivalent O(1)Sr4Cu2 octahedra, corners with two equivalent O(10)Sr3Cu2 square pyramids, corners with two equivalent O(8)Sr3Cu2 square pyramids,  an edgeedge with one O(1)Sr4Cu2 octahedra, edges with two equivalent O(3)Sr4Cu2 octahedra,  a faceface with one O(1)Sr4Cu2 octahedra,  a faceface with one O(3)Sr4Cu2 octahedra,  a faceface with one O(6)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4Cu2 octahedra, and faces with two equivalent O(7)Sr3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-64°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Cu(3), and one Cu(5) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(3)Sr4Cu2 octahedra, corners with two equivalent O(1)Sr4Cu2 octahedra, corners with two equivalent O(11)Sr4Cu2 octahedra, corners with two equivalent O(4)Sr4Cu2 octahedra, corners with four equivalent O(6)Sr4Cu2 octahedra, corners with two equivalent O(10)Sr3Cu2 square pyramids, corners with two equivalent O(8)Sr3Cu2 square pyramids,  an edgeedge with one O(6)Sr4Cu2 octahedra, edges with two equivalent O(4)Sr4Cu2 octahedra,  a faceface with one O(1)Sr4Cu2 octahedra,  a faceface with one O(4)Sr4Cu2 octahedra,  a faceface with one O(6)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4Cu2 octahedra, and faces with two equivalent O(9)Sr3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-63°. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to two equivalent Sr(3), two equivalent Sr(4), one Cu(3), and one Cu(4) atom. In the sixth O site, O(6) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Cu(4), and one Cu(5) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(1)Sr4Cu2 octahedra, corners with two equivalent O(11)Sr4Cu2 octahedra, corners with two equivalent O(3)Sr4Cu2 octahedra, corners with two equivalent O(6)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra, corners with two equivalent O(7)Sr3Cu2 square pyramids, corners with two equivalent O(9)Sr3Cu2 square pyramids,  an edgeedge with one O(4)Sr4Cu2 octahedra, edges with two equivalent O(6)Sr4Cu2 octahedra,  a faceface with one O(3)Sr4Cu2 octahedra,  a faceface with one O(4)Sr4Cu2 octahedra,  a faceface with one O(6)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4Cu2 octahedra, and faces with two equivalent O(10)Sr3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-63°. In the seventh O site, O(7) is bonded to one Sr(1), two equivalent Sr(4), and two equivalent Cu(2) atoms to form distorted OSr3Cu2 square pyramids that share corners with four equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent O(6)Sr4Cu2 octahedra,  a cornercorner with one O(8)Sr3Cu2 square pyramid, corners with two equivalent O(10)Sr3Cu2 square pyramids, corners with two equivalent O(7)Sr3Cu2 square pyramids, edges with two equivalent O(11)Sr4Cu2 octahedra, and faces with four equivalent O(3)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the eighth O site, O(8) is bonded to one Sr(1), two equivalent Sr(3), and two equivalent Cu(1) atoms to form distorted OSr3Cu2 square pyramids that share corners with four equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra,  a cornercorner with one O(7)Sr3Cu2 square pyramid, corners with two equivalent O(8)Sr3Cu2 square pyramids, corners with two equivalent O(9)Sr3Cu2 square pyramids, edges with two equivalent O(11)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the ninth O site, O(9) is bonded to one Sr(2), two equivalent Sr(3), and two equivalent Cu(3) atoms to form distorted OSr3Cu2 square pyramids that share corners with four equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent O(6)Sr4Cu2 octahedra,  a cornercorner with one O(10)Sr3Cu2 square pyramid, corners with two equivalent O(8)Sr3Cu2 square pyramids, corners with two equivalent O(9)Sr3Cu2 square pyramids, edges with two equivalent O(11)Sr4Cu2 octahedra, and faces with four equivalent O(4)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the tenth O site, O(10) is bonded to one Sr(2), two equivalent Sr(4), and two equivalent Cu(4) atoms to form distorted OSr3Cu2 square pyramids that share corners with four equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra,  a cornercorner with one O(9)Sr3Cu2 square pyramid, corners with two equivalent O(10)Sr3Cu2 square pyramids, corners with two equivalent O(7)Sr3Cu2 square pyramids, edges with two equivalent O(11)Sr4Cu2 octahedra, and faces with four equivalent O(6)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the eleventh O site, O(11) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Cu(5) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with two equivalent O(3)Sr4Cu2 octahedra, corners with two equivalent O(4)Sr4Cu2 octahedra, corners with two equivalent O(6)Sr4Cu2 octahedra, corners with four equivalent O(11)Sr4Cu2 octahedra,  an edgeedge with one O(10)Sr3Cu2 square pyramid,  an edgeedge with one O(7)Sr3Cu2 square pyramid,  an edgeedge with one O(8)Sr3Cu2 square pyramid,  an edgeedge with one O(9)Sr3Cu2 square pyramid, faces with two equivalent O(1)Sr4Cu2 octahedra, faces with two equivalent O(3)Sr4Cu2 octahedra, faces with two equivalent O(4)Sr4Cu2 octahedra, and faces with two equivalent O(6)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_SrCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.836
_cell_length_b   5.408
_cell_length_c   8.521
_cell_angle_alpha   90.000
_cell_angle_beta   89.943
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.768
_cell_formula_units_Z   3
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
  Cu  Cu0  1  0.501  0.000  0.656  1.0
  Cu  Cu1  1  0.499  0.000  0.324  1.0
  Cu  Cu2  1  0.500  0.500  0.990  1.0
  O  O3  1  0.501  0.251  0.820  1.0
  O  O4  1  0.501  0.749  0.820  1.0
  O  O5  1  0.500  0.247  0.490  1.0
  O  O6  1  0.500  0.753  0.490  1.0
  O  O7  1  0.499  0.252  0.160  1.0
  O  O8  1  0.499  0.748  0.160  1.0
  O  O9  1  0.999  1.000  0.294  1.0
  O  O10  1  0.001  1.000  0.684  1.0
  O  O11  1  1.000  0.500  0.990  1.0
  Sr  Sr12  1  1.000  1.000  0.990  1.0
  Sr  Sr13  1  0.001  0.500  0.687  1.0
  Sr  Sr14  1  0.999  0.500  0.294  1.0
[/CIF]
.
The crystal structure described by SrCuO3 crystallizes in the monoclinic Pm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(7), one O(8), two equivalent O(11), four equivalent O(1), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Cu(1)O6 octahedra, faces with two equivalent Cu(2)O6 octahedra, and faces with four equivalent Cu(5)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(10), one O(9), two equivalent O(11), four equivalent O(4), and four equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Cu(3)O6 octahedra, faces with two equivalent Cu(4)O6 octahedra, and faces with four equivalent Cu(5)O6 octahedra. In the third Sr site, Sr(3) is bonded in a 11-coordinate geometry to one O(11), one O(8), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. In the fourth Sr site, Sr(4) is bonded in a 11-coordinate geometry to one O(10), one O(11), one O(7), two equivalent O(2), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(8) atoms to form CuO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second Cu site, Cu(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms to form CuO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and faces with two equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the third Cu site, Cu(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra,  an edgeedge with one Cu(4)O6 octahedra, and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-14°. In the fourth Cu site, Cu(4) is bonded to two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms to form CuO6 octahedra that share corners with two equivalent Cu(4)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra, and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(3), one O(4), one O(6), and two equivalent O(11) atoms to form CuO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Cu(4)O6 octahedra, corners with two equivalent Cu(5)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(3), one Cu(1), and one Cu(5) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(6)Sr4Cu2 octahedra, corners with two equivalent O(1)Sr4Cu2 octahedra, corners with two equivalent O(11)Sr4Cu2 octahedra, corners with two equivalent O(4)Sr4Cu2 octahedra, corners with four equivalent O(3)Sr4Cu2 octahedra, corners with two equivalent O(7)Sr3Cu2 square pyramids, corners with two equivalent O(9)Sr3Cu2 square pyramids,  an edgeedge with one O(3)Sr4Cu2 octahedra, edges with two equivalent O(1)Sr4Cu2 octahedra,  a faceface with one O(1)Sr4Cu2 octahedra,  a faceface with one O(3)Sr4Cu2 octahedra,  a faceface with one O(4)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4Cu2 octahedra, and faces with two equivalent O(8)Sr3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-63°. In the second O site, O(2) is bonded in a distorted L-shaped geometry to two equivalent Sr(3), two equivalent Sr(4), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(4), one Cu(2), and one Cu(5) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(4)Sr4Cu2 octahedra, corners with two equivalent O(11)Sr4Cu2 octahedra, corners with two equivalent O(3)Sr4Cu2 octahedra, corners with two equivalent O(6)Sr4Cu2 octahedra, corners with four equivalent O(1)Sr4Cu2 octahedra, corners with two equivalent O(10)Sr3Cu2 square pyramids, corners with two equivalent O(8)Sr3Cu2 square pyramids,  an edgeedge with one O(1)Sr4Cu2 octahedra, edges with two equivalent O(3)Sr4Cu2 octahedra,  a faceface with one O(1)Sr4Cu2 octahedra,  a faceface with one O(3)Sr4Cu2 octahedra,  a faceface with one O(6)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4Cu2 octahedra, and faces with two equivalent O(7)Sr3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-64°. In the fourth O site, O(4) is bonded to two equivalent Sr(2), two equivalent Sr(3), one Cu(3), and one Cu(5) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(3)Sr4Cu2 octahedra, corners with two equivalent O(1)Sr4Cu2 octahedra, corners with two equivalent O(11)Sr4Cu2 octahedra, corners with two equivalent O(4)Sr4Cu2 octahedra, corners with four equivalent O(6)Sr4Cu2 octahedra, corners with two equivalent O(10)Sr3Cu2 square pyramids, corners with two equivalent O(8)Sr3Cu2 square pyramids,  an edgeedge with one O(6)Sr4Cu2 octahedra, edges with two equivalent O(4)Sr4Cu2 octahedra,  a faceface with one O(1)Sr4Cu2 octahedra,  a faceface with one O(4)Sr4Cu2 octahedra,  a faceface with one O(6)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4Cu2 octahedra, and faces with two equivalent O(9)Sr3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-63°. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to two equivalent Sr(3), two equivalent Sr(4), one Cu(3), and one Cu(4) atom. In the sixth O site, O(6) is bonded to two equivalent Sr(2), two equivalent Sr(4), one Cu(4), and one Cu(5) atom to form distorted OSr4Cu2 octahedra that share  a cornercorner with one O(1)Sr4Cu2 octahedra, corners with two equivalent O(11)Sr4Cu2 octahedra, corners with two equivalent O(3)Sr4Cu2 octahedra, corners with two equivalent O(6)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra, corners with two equivalent O(7)Sr3Cu2 square pyramids, corners with two equivalent O(9)Sr3Cu2 square pyramids,  an edgeedge with one O(4)Sr4Cu2 octahedra, edges with two equivalent O(6)Sr4Cu2 octahedra,  a faceface with one O(3)Sr4Cu2 octahedra,  a faceface with one O(4)Sr4Cu2 octahedra,  a faceface with one O(6)Sr4Cu2 octahedra, faces with two equivalent O(11)Sr4Cu2 octahedra, and faces with two equivalent O(10)Sr3Cu2 square pyramids. The corner-sharing octahedral tilt angles range from 0-63°. In the seventh O site, O(7) is bonded to one Sr(1), two equivalent Sr(4), and two equivalent Cu(2) atoms to form distorted OSr3Cu2 square pyramids that share corners with four equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent O(6)Sr4Cu2 octahedra,  a cornercorner with one O(8)Sr3Cu2 square pyramid, corners with two equivalent O(10)Sr3Cu2 square pyramids, corners with two equivalent O(7)Sr3Cu2 square pyramids, edges with two equivalent O(11)Sr4Cu2 octahedra, and faces with four equivalent O(3)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the eighth O site, O(8) is bonded to one Sr(1), two equivalent Sr(3), and two equivalent Cu(1) atoms to form distorted OSr3Cu2 square pyramids that share corners with four equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra,  a cornercorner with one O(7)Sr3Cu2 square pyramid, corners with two equivalent O(8)Sr3Cu2 square pyramids, corners with two equivalent O(9)Sr3Cu2 square pyramids, edges with two equivalent O(11)Sr4Cu2 octahedra, and faces with four equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the ninth O site, O(9) is bonded to one Sr(2), two equivalent Sr(3), and two equivalent Cu(3) atoms to form distorted OSr3Cu2 square pyramids that share corners with four equivalent O(1)Sr4Cu2 octahedra, corners with four equivalent O(6)Sr4Cu2 octahedra,  a cornercorner with one O(10)Sr3Cu2 square pyramid, corners with two equivalent O(8)Sr3Cu2 square pyramids, corners with two equivalent O(9)Sr3Cu2 square pyramids, edges with two equivalent O(11)Sr4Cu2 octahedra, and faces with four equivalent O(4)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the tenth O site, O(10) is bonded to one Sr(2), two equivalent Sr(4), and two equivalent Cu(4) atoms to form distorted OSr3Cu2 square pyramids that share corners with four equivalent O(3)Sr4Cu2 octahedra, corners with four equivalent O(4)Sr4Cu2 octahedra,  a cornercorner with one O(9)Sr3Cu2 square pyramid, corners with two equivalent O(10)Sr3Cu2 square pyramids, corners with two equivalent O(7)Sr3Cu2 square pyramids, edges with two equivalent O(11)Sr4Cu2 octahedra, and faces with four equivalent O(6)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the eleventh O site, O(11) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), and two equivalent Cu(5) atoms to form distorted OSr4Cu2 octahedra that share corners with two equivalent O(1)Sr4Cu2 octahedra, corners with two equivalent O(3)Sr4Cu2 octahedra, corners with two equivalent O(4)Sr4Cu2 octahedra, corners with two equivalent O(6)Sr4Cu2 octahedra, corners with four equivalent O(11)Sr4Cu2 octahedra,  an edgeedge with one O(10)Sr3Cu2 square pyramid,  an edgeedge with one O(7)Sr3Cu2 square pyramid,  an edgeedge with one O(8)Sr3Cu2 square pyramid,  an edgeedge with one O(9)Sr3Cu2 square pyramid, faces with two equivalent O(1)Sr4Cu2 octahedra, faces with two equivalent O(3)Sr4Cu2 octahedra, faces with two equivalent O(4)Sr4Cu2 octahedra, and faces with two equivalent O(6)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF card [CIF]
data_SrCuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.836
_cell_length_b   5.408
_cell_length_c   8.521
_cell_angle_alpha   90.000
_cell_angle_beta   89.943
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   176.768
_cell_formula_units_Z   3
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
  Cu  Cu0  1  0.501  0.000  0.656  1.0
  Cu  Cu1  1  0.499  0.000  0.324  1.0
  Cu  Cu2  1  0.500  0.500  0.990  1.0
  O  O3  1  0.501  0.251  0.820  1.0
  O  O4  1  0.501  0.749  0.820  1.0
  O  O5  1  0.500  0.247  0.490  1.0
  O  O6  1  0.500  0.753  0.490  1.0
  O  O7  1  0.499  0.252  0.160  1.0
  O  O8  1  0.499  0.748  0.160  1.0
  O  O9  1  0.999  1.000  0.294  1.0
  O  O10  1  0.001  1.000  0.684  1.0
  O  O11  1  1.000  0.500  0.990  1.0
  Sr  Sr12  1  1.000  1.000  0.990  1.0
  Sr  Sr13  1  0.001  0.500  0.687  1.0
  Sr  Sr14  1  0.999  0.500  0.294  1.0
[/CIF]
.