SrCuO2 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded to two equivalent O(2) and five equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing SrO7 pentagonal bipyramids. Cu(1) is bonded in a square co-planar geometry to one O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Cu(1) atom to form distorted OSr5Cu octahedra that share corners with four equivalent O(1)Sr5Cu octahedra, corners with seven equivalent O(2)Sr2Cu3 trigonal bipyramids, edges with eight equivalent O(1)Sr5Cu octahedra, and faces with two equivalent O(2)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°. In the second O site, O(2) is bonded to two equivalent Sr(1) and three equivalent Cu(1) atoms to form OSr2Cu3 trigonal bipyramids that share corners with seven equivalent O(1)Sr5Cu octahedra, corners with four equivalent O(2)Sr2Cu3 trigonal bipyramids, edges with two equivalent O(2)Sr2Cu3 trigonal bipyramids, and faces with two equivalent O(1)Sr5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-58°.
SrCuO2 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded to two equivalent O(2) and five equivalent O(1) atoms to form a mixture of distorted face, corner, and edge-sharing SrO7 pentagonal bipyramids. Both Sr(1)-O(2) bond lengths are 2.57 Å. There is one shorter (2.48 Å) and four longer (2.67 Å) Sr(1)-O(1) bond lengths. Cu(1) is bonded in a square co-planar geometry to one O(1) and three equivalent O(2) atoms. The Cu(1)-O(1) bond length is 1.89 Å. There is one shorter (1.89 Å) and two longer (1.97 Å) Cu(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to five equivalent Sr(1) and one Cu(1) atom to form distorted OSr5Cu octahedra that share corners with four equivalent O(1)Sr5Cu octahedra, corners with seven equivalent O(2)Sr2Cu3 trigonal bipyramids, edges with eight equivalent O(1)Sr5Cu octahedra, and faces with two equivalent O(2)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 8°. In the second O site, O(2) is bonded to two equivalent Sr(1) and three equivalent Cu(1) atoms to form OSr2Cu3 trigonal bipyramids that share corners with seven equivalent O(1)Sr5Cu octahedra, corners with four equivalent O(2)Sr2Cu3 trigonal bipyramids, edges with two equivalent O(2)Sr2Cu3 trigonal bipyramids, and faces with two equivalent O(1)Sr5Cu octahedra. The corner-sharing octahedral tilt angles range from 0-58°.