TiFeSe is half-Heusler structured and crystallizes in the cubic F-43m space group. Ti(1) is bonded in a 10-coordinate geometry to four equivalent Fe(1) and six equivalent Se(1) atoms. Fe(1) is bonded in a body-centered cubic geometry to four equivalent Ti(1) and four equivalent Se(1) atoms. Se(1) is bonded in a 10-coordinate geometry to six equivalent Ti(1) and four equivalent Fe(1) atoms.
TiFeSe is half-Heusler structured and crystallizes in the cubic F-43m space group. Ti(1) is bonded in a 10-coordinate geometry to four equivalent Fe(1) and six equivalent Se(1) atoms. All Ti(1)-Fe(1) bond lengths are 2.43 Å. All Ti(1)-Se(1) bond lengths are 2.81 Å. Fe(1) is bonded in a body-centered cubic geometry to four equivalent Ti(1) and four equivalent Se(1) atoms. All Fe(1)-Se(1) bond lengths are 2.43 Å. Se(1) is bonded in a 10-coordinate geometry to six equivalent Ti(1) and four equivalent Fe(1) atoms.