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DOE OSTI2020

Materials Data on NbCoTe2 by Materials Project

NbCoTe2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two NbCoTe2 sheets oriented in the (0, 1, 0) direction. Nb2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are two shorter (2.83 Å) and two longer (2.86 Å) Nb–Te bond lengths. Co2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.55–2.60 Å. 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 Co2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NbCoTe2 by Materials Project

NbCoTe2 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one NbCoTe2 sheet oriented in the (0, 0, 1) direction. Nb2+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Nb–Te bond distances ranging from 2.82–3.03 Å. Co2+ is bonded in a 4-coordinate geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.54–2.61 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Nb2+ and two equivalent Co2+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Nb2+ and two equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗