SrCu2O3 crystallizes in the orthorhombic Pmmn space group. Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. 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(2) is bonded to two equivalent Sr(1) and three equivalent Cu(1) atoms to form distorted OSr2Cu3 trigonal bipyramids that share corners with five equivalent O(1)Sr4Cu2 octahedra, corners with six equivalent O(2)Sr2Cu3 trigonal bipyramids, edges with three equivalent O(2)Sr2Cu3 trigonal bipyramids, and faces with two equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the second O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with four equivalent O(1)Sr4Cu2 octahedra, corners with ten equivalent O(2)Sr2Cu3 trigonal bipyramids, edges with four equivalent O(1)Sr4Cu2 octahedra, and faces with four equivalent O(2)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°.
SrCu2O3 crystallizes in the orthorhombic Pmmn space group. Sr(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two shorter (2.63 Å) and two longer (2.65 Å) Sr(1)-O(1) bond lengths. There are two shorter (2.62 Å) and two longer (2.63 Å) Sr(1)-O(2) 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(2) is bonded to two equivalent Sr(1) and three equivalent Cu(1) atoms to form distorted OSr2Cu3 trigonal bipyramids that share corners with five equivalent O(1)Sr4Cu2 octahedra, corners with six equivalent O(2)Sr2Cu3 trigonal bipyramids, edges with three equivalent O(2)Sr2Cu3 trigonal bipyramids, and faces with two equivalent O(1)Sr4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the second O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Cu(1) atoms to form OSr4Cu2 octahedra that share corners with four equivalent O(1)Sr4Cu2 octahedra, corners with ten equivalent O(2)Sr2Cu3 trigonal bipyramids, edges with four equivalent O(1)Sr4Cu2 octahedra, and faces with four equivalent O(2)Sr2Cu3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°.