SrCaNb4O12 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Ca(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 13-35°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one Sr(1), one Ca(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms.
SrCaNb4O12 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(5) atoms. Both Sr(1)-O(2) bond lengths are 2.64 Å. All Sr(1)-O(1) bond lengths are 2.61 Å. There are two shorter (2.80 Å) and two longer (2.87 Å) Sr(1)-O(5) bond lengths. Ca(1) is bonded in a 4-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both Ca(1)-O(2) bond lengths are 2.82 Å. Both Ca(1)-O(3) bond lengths are 2.39 Å. Both Ca(1)-O(4) bond lengths are 2.46 Å. Nb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles range from 13-35°. The Nb(1)-O(2) bond length is 2.01 Å. The Nb(1)-O(3) bond length is 2.01 Å. The Nb(1)-O(4) bond length is 2.01 Å. The Nb(1)-O(5) bond length is 2.02 Å. There is one shorter (1.89 Å) and one longer (2.19 Å) Nb(1)-O(1) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded in a distorted square co-planar geometry to one Sr(1), one Ca(1), and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ca(1) and two equivalent Nb(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Nb(1) atoms. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1) and two equivalent Nb(1) atoms.