BaZr2O6Sn crystallizes in the orthorhombic Cmmm space group. The structure consists of two 7440-31-5 atoms inside a BaZr2O6 framework. In the BaZr2O6 framework, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Zr(1)O6 octahedra. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Zr(1) atoms.
BaZr2O6Sn crystallizes in the orthorhombic Cmmm space group. The structure consists of two 7440-31-5 atoms inside a BaZr2O6 framework. In the BaZr2O6 framework, Ba(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with two equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Zr(1)O6 octahedra. All Ba(1)-O(1) bond lengths are 2.98 Å. All Ba(1)-O(2) bond lengths are 3.13 Å. All Ba(1)-O(3) bond lengths are 2.85 Å. Zr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZrO6 octahedra that share corners with six equivalent Zr(1)O6 octahedra and faces with four equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-11°. Both Zr(1)-O(1) bond lengths are 2.12 Å. Both Zr(1)-O(2) bond lengths are 2.12 Å. Both Zr(1)-O(3) bond lengths are 2.11 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Zr(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to two equivalent Ba(1) and two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ba(1) and two equivalent Zr(1) atoms.