Materials Data on NbNiTe2 by Materials Project
NbNiTe2 crystallizes in the orthorhombic Pmna space group. The structure is two-dimensional and consists of one NbNiTe2 sheet oriented in the (0, 1, 0) direction. Nb2+ is bonded in a 6-coordinate geometry to four Te2- atoms. There are two shorter (2.81 Å) and two longer (2.85 Å) Nb–Te bond lengths. Ni2+ is bonded to four Te2- atoms to form a mixture of distorted edge and corner-sharing NiTe4 trigonal pyramids. There are two shorter (2.57 Å) and two longer (2.60 Å) Ni–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Ni2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Ni2+ atoms.