SrNb2CuO7Cl crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. Nb(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted NbO6 octahedra that share corners with five equivalent Nb(1)O6 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. Cu(1) is bonded in a distorted linear geometry to two equivalent O(2) and four equivalent Cl(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one Cu(1) atom. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Nb(1) atoms to form a mixture of corner and edge-sharing OSr4Nb2 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a square co-planar geometry to four equivalent Cu(1) atoms.
SrNb2CuO7Cl crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Nb(1)O6 octahedra. All Sr(1)-O(3) bond lengths are 2.80 Å. All Sr(1)-O(1) bond lengths are 2.71 Å. Nb(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted NbO6 octahedra that share corners with five equivalent Nb(1)O6 octahedra and faces with four equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-19°. The Nb(1)-O(2) bond length is 1.84 Å. The Nb(1)-O(3) bond length is 2.19 Å. All Nb(1)-O(1) bond lengths are 2.01 Å. Cu(1) is bonded in a distorted linear geometry to two equivalent O(2) and four equivalent Cl(1) atoms. Both Cu(1)-O(2) bond lengths are 1.79 Å. All Cu(1)-Cl(1) bond lengths are 2.80 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one Nb(1) and one Cu(1) atom. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Nb(1) atoms to form a mixture of corner and edge-sharing OSr4Nb2 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a square co-planar geometry to four equivalent Cu(1) atoms.