SrCoO3 is (Cubic) Perovskite-like structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two 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°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two 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 0-4°. 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 CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two 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 1-5°. In the fourth Co site, Co(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)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 1-5°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(2), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°.
SrCoO3 is (Cubic) Perovskite-like structured and crystallizes in the orthorhombic Amm2 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. Both Sr(1)-O(1) bond lengths are 2.76 Å. Both Sr(1)-O(2) bond lengths are 2.77 Å. Both Sr(1)-O(3) bond lengths are 2.74 Å. Both Sr(1)-O(4) bond lengths are 2.74 Å. Both Sr(1)-O(5) bond lengths are 2.75 Å. There is one shorter (2.71 Å) and one longer (2.79 Å) Sr(1)-O(6) bond length. In the second Sr site, Sr(2) is bonded to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, faces with two equivalent Co(3)O6 octahedra, and faces with two equivalent Co(4)O6 octahedra. Both Sr(2)-O(1) bond lengths are 2.79 Å. Both Sr(2)-O(2) bond lengths are 2.77 Å. Both Sr(2)-O(3) bond lengths are 2.78 Å. Both Sr(2)-O(4) bond lengths are 2.70 Å. There is one shorter (2.73 Å) and one longer (2.76 Å) Sr(2)-O(5) bond length. Both Sr(2)-O(6) bond lengths are 2.75 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two 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°. Both Co(1)-O(1) bond lengths are 2.05 Å. Both Co(1)-O(4) bond lengths are 1.99 Å. Both Co(1)-O(5) bond lengths are 1.88 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two 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 0-4°. Both Co(2)-O(1) bond lengths are 1.83 Å. Both Co(2)-O(2) bond lengths are 1.86 Å. Both Co(2)-O(6) bond lengths are 2.09 Å. 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 CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two 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 1-5°. Both Co(3)-O(2) bond lengths are 2.06 Å. Both Co(3)-O(3) bond lengths are 1.85 Å. Both Co(3)-O(5) bond lengths are 2.03 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)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 1-5°. Both Co(4)-O(3) bond lengths are 1.98 Å. Both Co(4)-O(4) bond lengths are 1.89 Å. Both Co(4)-O(6) bond lengths are 1.82 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(2), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. In the third O site, O(3) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(1), and one Co(3) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the sixth O site, O(6) is bonded to two equivalent Sr(1), two equivalent Sr(2), one Co(2), and one Co(4) atom to form a mixture of distorted face, corner, and edge-sharing OSr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°.