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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NpTe3 by Materials Project

NpTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NpTe3 sheets oriented in the (0, 1, 0) direction. Np6+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Np–Te bond distances ranging from 3.06–3.45 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 4-coordinate geometry to six equivalent Np6+ atoms. In the second Te2- site, Te2- is bonded in a 1-coordinate geometry to one Np6+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.12 Å. In the third Te2- site, Te2- is bonded in a 4-coordinate geometry to four equivalent Te2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpTe3 by Materials Project

NpTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NpTe3 sheets oriented in the (0, 1, 0) direction. Np6+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Np–Te bond distances ranging from 3.19–3.24 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five equivalent Np6+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Np6+ and four equivalent Te2- atoms. All Te–Te bond lengths are 3.07 Å. In the third Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Np6+ and four equivalent Te2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NpTe3 by Materials Project

NpTe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np6+ is bonded to twelve equivalent Te2- atoms to form a mixture of corner and face-sharing NpTe12 cuboctahedra. There are six shorter (3.30 Å) and six longer (3.50 Å) Np–Te bond lengths. Te2- is bonded in a 12-coordinate geometry to four equivalent Np6+ and eight equivalent Te2- atoms. There are a spread of Te–Te bond distances ranging from 3.16–3.59 Å.

36 MATERIALS SCIENCE↗