Materials Data on YSeBr by Materials Project
YSeBr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y3+ is bonded to four equivalent Se2- and six equivalent Br1- atoms to form a mixture of distorted corner and face-sharing YSe4Br6 tetrahedra. All Y–Se bond lengths are 3.03 Å. All Y–Br bond lengths are 3.50 Å. Se2- is bonded in a body-centered cubic geometry to four equivalent Y3+ and four equivalent Br1- atoms. All Se–Br bond lengths are 3.03 Å. Br1- is bonded in a 10-coordinate geometry to six equivalent Y3+ and four equivalent Se2- atoms.
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