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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd2Te5 by Materials Project

Nd2Te5 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Nd2Te5 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are five shorter (3.26 Å) and four longer (3.39 Å) Nd–Te bond lengths. In the second Nd2+ site, Nd2+ is bonded in a 9-coordinate geometry to nine Te+0.80- atoms. There are a spread of Nd–Te bond distances ranging from 3.29–3.37 Å. There are four inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a 5-coordinate geometry to five Nd2+ atoms. In the second Te+0.80- site, Te+0.80- is bonded in a 5-coordinate geometry to five Nd2+ atoms. In the third Te+0.80- site, Te+0.80- is bonded in a 6-coordinate geometry to two equivalent Nd2+ and four equivalent Te+0.80- atoms. All Te–Te bond lengths are 3.14 Å. In the fourth Te+0.80- site, Te+0.80- is bonded in a 8-coordinate geometry to four equivalent Nd2+ and four equivalent Te+0.80- atoms. All Te–Te bond lengths are 3.14 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Te3 by Materials Project

Nd2Te3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.73 Å. In the second Nd3+ site, Nd3+ is bonded to seven Te2- atoms to form a mixture of distorted edge and corner-sharing NdTe7 pentagonal bipyramids. There are a spread of Nd–Te bond distances ranging from 3.20–3.29 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to five Nd3+ atoms. In the third Te2- site, Te2- is bonded to five Nd3+ atoms to form distorted edge-sharing TeNd5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3Te4 by Materials Project

Nd3Te4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Nd+2.67+ is bonded to eight equivalent Te2- atoms to form a mixture of distorted edge, face, and corner-sharing NdTe8 hexagonal bipyramids. There are four shorter (3.22 Å) and four longer (3.39 Å) Nd–Te bond lengths. Te2- is bonded to six equivalent Nd+2.67+ atoms to form a mixture of distorted edge, face, and corner-sharing TeNd6 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTe2 by Materials Project

NdTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of Nd–Te bond distances ranging from 3.29–3.37 Å. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded to five equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing TeNd5 trigonal bipyramids. In the second Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTe by Materials Project

NdTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd2+ is bonded to six equivalent Te2- atoms to form a mixture of edge and corner-sharing NdTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Te bond lengths are 3.18 Å. Te2- is bonded to six equivalent Nd2+ atoms to form a mixture of edge and corner-sharing TeNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdTe3 by Materials Project

NdTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NdTe3 sheets oriented in the (0, 1, 0) direction. Nd3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of Nd–Te bond distances ranging from 3.25–3.38 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Nd3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the second Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Nd3+ and four equivalent Te1- atoms. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to five equivalent Nd3+ atoms.

36 MATERIALS SCIENCE↗