SrNiO2 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(1) atoms. Ni(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 Ni(1) atom to form distorted OSr5Ni octahedra that share corners with four equivalent O(1)Sr5Ni octahedra, corners with seven equivalent O(2)Sr2Ni3 trigonal bipyramids, edges with eight equivalent O(1)Sr5Ni octahedra, and faces with two equivalent O(2)Sr2Ni3 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 Ni(1) atoms to form OSr2Ni3 trigonal bipyramids that share corners with seven equivalent O(1)Sr5Ni octahedra, corners with four equivalent O(2)Sr2Ni3 trigonal bipyramids, edges with two equivalent O(2)Sr2Ni3 trigonal bipyramids, and faces with two equivalent O(1)Sr5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-59°.
SrNiO2 crystallizes in the orthorhombic Cmcm space group. Sr(1) is bonded in a 7-coordinate geometry to two equivalent O(2) and five equivalent O(1) atoms. Both Sr(1)-O(2) bond lengths are 2.57 Å. There is one shorter (2.48 Å) and four longer (2.72 Å) Sr(1)-O(1) bond lengths. Ni(1) is bonded in a square co-planar geometry to one O(1) and three equivalent O(2) atoms. The Ni(1)-O(1) bond length is 1.93 Å. There is one shorter (1.92 Å) and two longer (2.03 Å) Ni(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 Ni(1) atom to form distorted OSr5Ni octahedra that share corners with four equivalent O(1)Sr5Ni octahedra, corners with seven equivalent O(2)Sr2Ni3 trigonal bipyramids, edges with eight equivalent O(1)Sr5Ni octahedra, and faces with two equivalent O(2)Sr2Ni3 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 Ni(1) atoms to form OSr2Ni3 trigonal bipyramids that share corners with seven equivalent O(1)Sr5Ni octahedra, corners with four equivalent O(2)Sr2Ni3 trigonal bipyramids, edges with two equivalent O(2)Sr2Ni3 trigonal bipyramids, and faces with two equivalent O(1)Sr5Ni octahedra. The corner-sharing octahedral tilt angles range from 0-59°.