BaSrZr4O12 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Zr(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 ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sr(1), and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Zr(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Zr(1) atoms.
BaSrZr4O12 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(2), four equivalent O(1), and four equivalent O(4) atoms. Both Ba(1)-O(2) bond lengths are 2.93 Å. All Ba(1)-O(1) bond lengths are 2.86 Å. There are two shorter (2.96 Å) and two longer (3.00 Å) Ba(1)-O(4) bond lengths. Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent O(1) atoms. Both Sr(1)-O(2) bond lengths are 2.86 Å. Both Sr(1)-O(3) bond lengths are 2.68 Å. Both Sr(1)-O(5) bond lengths are 2.61 Å. All Sr(1)-O(1) bond lengths are 3.08 Å. Zr(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 ZrO6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. The Zr(1)-O(2) bond length is 2.16 Å. The Zr(1)-O(3) bond length is 2.07 Å. The Zr(1)-O(4) bond length is 2.12 Å. The Zr(1)-O(5) bond length is 2.10 Å. There is one shorter (2.11 Å) and one longer (2.12 Å) Zr(1)-O(1) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Sr(1), and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Ba(1), one Sr(1), and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Sr(1) and two equivalent Zr(1) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Zr(1) atoms. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Sr(1) and two equivalent Zr(1) atoms.