LiZr2(SeO)2 crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1,2) atoms. Se(1) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Zr(1) atoms. O(1,2) is bonded to four equivalent Zr(1) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra.
LiZr2(SeO)2 crystallizes in the tetragonal P-4m2 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) atoms. All Li(1)-Se(1) bond lengths are 2.58 Å. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Se(1) and four equivalent O(1,2) atoms. All Zr(1)-Se(1) bond lengths are 2.96 Å. All Zr(1)-O(1,2) bond lengths are 2.18 Å. Se(1) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Zr(1) atoms. O(1,2) is bonded to four equivalent Zr(1) atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra.