Sr2YNi2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. Ni(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing NiO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Ni(1) atoms to form distorted OY2Ni2 tetrahedra that share corners with two equivalent O(4)Sr4Ni square pyramids, corners with four equivalent O(2)Y2Ni2 tetrahedra, and edges with two equivalent O(2)Y2Ni2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Sr(1) and one Ni(1) atom to form distorted OSr4Ni square pyramids that share corners with four equivalent O(4)Sr4Ni square pyramids, corners with two equivalent O(2)Y2Ni2 tetrahedra, and edges with four equivalent O(4)Sr4Ni square pyramids.
Sr2YNi2O7 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. There is one shorter (2.57 Å) and one longer (2.60 Å) Sr(1)-O(1) bond length. There is one shorter (3.03 Å) and one longer (3.06 Å) Sr(1)-O(3) bond length. There are a spread of Sr(1)-O(4) bond distances ranging from 2.70-2.76 Å. Y(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Y(1)-O(2) bond lengths. All Y(1)-O(3) bond lengths are 2.43 Å. Ni(1) is bonded to one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing NiO5 trigonal bipyramids. The Ni(1)-O(4) bond length is 1.82 Å. There is one shorter (1.89 Å) and one longer (2.05 Å) Ni(1)-O(2) bond length. There is one shorter (1.91 Å) and one longer (2.06 Å) Ni(1)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Sr(1) atoms. In the second O site, O(2) is bonded to two equivalent Y(1) and two equivalent Ni(1) atoms to form distorted OY2Ni2 tetrahedra that share corners with two equivalent O(4)Sr4Ni square pyramids, corners with four equivalent O(2)Y2Ni2 tetrahedra, and edges with two equivalent O(2)Y2Ni2 tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded to four equivalent Sr(1) and one Ni(1) atom to form distorted OSr4Ni square pyramids that share corners with four equivalent O(4)Sr4Ni square pyramids, corners with two equivalent O(2)Y2Ni2 tetrahedra, and edges with four equivalent O(4)Sr4Ni square pyramids.