BaZr2O6Sn crystallizes in the tetragonal P4/mmm space group. The structure consists of one 7440-31-5 atom inside a BaZr2O6 framework. In the BaZr2O6 framework, Ba(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Zr(1)O6 octahedra. Zr(1) is bonded to one O(2), one O(3), and four equivalent O(1) 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 0-1°. 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 linear geometry to two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Zr(1) atoms.
BaZr2O6Sn crystallizes in the tetragonal P4/mmm space group. The structure consists of one 7440-31-5 atom inside a BaZr2O6 framework. In the BaZr2O6 framework, Ba(1) is bonded to four equivalent O(3) and eight equivalent O(1) atoms to form BaO12 cuboctahedra that share corners with four equivalent Ba(1)O12 cuboctahedra, faces with four equivalent Ba(1)O12 cuboctahedra, and faces with eight equivalent Zr(1)O6 octahedra. All Ba(1)-O(3) bond lengths are 2.99 Å. All Ba(1)-O(1) bond lengths are 2.99 Å. Zr(1) is bonded to one O(2), one O(3), and four equivalent O(1) 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 0-1°. The Zr(1)-O(2) bond length is 2.09 Å. The Zr(1)-O(3) bond length is 2.14 Å. All Zr(1)-O(1) 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 linear geometry to two equivalent Zr(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ba(1) and two equivalent Zr(1) atoms.