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DOE OSTI · 1195638

Materials Data on NbNiTe2 by Materials Project

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Abstract

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.

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36 MATERIALS SCIENCEcrystal structureNb-Ni-TeNbNiTe2

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2020-07-17. Materials Data on NbNiTe2 by Materials Project. https://doi.org/10.17188/1195638

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