Materials Data on Ti2InNi2 by Materials Project

Abstract

Ti2Ni2In crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are four shorter (2.54 Å) and two longer (2.61 Å) Ti–Ni bond lengths. All Ti–In bond lengths are 3.00 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.58 Å) and four longer (2.61 Å) Ti–Ni bond lengths. All Ti–In bond lengths are 3.07 Å. Ni is bonded in a 10-coordinate geometry to six Ti, two equivalent Ni, and two equivalent In atoms. There are one shorter (2.49 Å) and one longer (2.75 Å) Ni–Ni bond lengths. Both Ni–In bond lengths are 2.75 Å. In is bonded in a 12-coordinate geometry to eight Ti, four equivalent Ni, and two equivalent In atoms. Both In–In bond lengths are 3.12 Å.