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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu8Te by Materials Project

Lu8Te crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to eight Lu and two equivalent Te atoms. There are a spread of Lu–Lu bond distances ranging from 3.29–3.62 Å. Both Lu–Te bond lengths are 3.12 Å. In the second Lu site, Lu is bonded in a 1-coordinate geometry to twelve Lu and one Te atom. There are four shorter (3.36 Å) and two longer (3.69 Å) Lu–Lu bond lengths. The Lu–Te bond length is 3.49 Å. In the third Lu site, Lu is bonded in a 11-coordinate geometry to eleven Lu atoms. Both Lu–Lu bond lengths are 3.69 Å. Te is bonded in a 9-coordinate geometry to nine Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuTe by Materials Project

LuTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded to six equivalent Te atoms to form a mixture of edge and corner-sharing LuTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–Te bond lengths are 3.02 Å. Te is bonded to six equivalent Lu atoms to form a mixture of edge and corner-sharing TeLu6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu7Te by Materials Project

Lu7Te crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted single-bond geometry to four equivalent Lu and one Te atom. There are two shorter (3.35 Å) and two longer (3.41 Å) Lu–Lu bond lengths. The Lu–Te bond length is 3.23 Å. In the second Lu site, Lu is bonded in a 2-coordinate geometry to three equivalent Lu and two equivalent Te atoms. There are one shorter (3.43 Å) and two longer (3.47 Å) Lu–Lu bond lengths. Both Lu–Te bond lengths are 3.11 Å. In the third Lu site, Lu is bonded to twelve Lu atoms to form a mixture of distorted corner, edge, and face-sharing LuLu12 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.27–3.74 Å. In the fourth Lu site, Lu is bonded in a 2-coordinate geometry to three equivalent Te atoms. There are two shorter (3.20 Å) and one longer (3.54 Å) Lu–Te bond lengths. Te is bonded in a 9-coordinate geometry to nine Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuTe2 by Materials Project

LuTe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine Te+1.50- atoms. There are a spread of Lu–Te bond distances ranging from 3.11–3.25 Å. There are two inequivalent Te+1.50- sites. In the first Te+1.50- site, Te+1.50- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent Te+1.50- atoms. All Te–Te bond lengths are 3.12 Å. In the second Te+1.50- site, Te+1.50- is bonded to five equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing TeLu5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuTe3 by Materials Project

LuTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LuTe3 sheets oriented in the (0, 1, 0) direction. Lu3+ is bonded in a 7-coordinate geometry to seven Te1- atoms. There are a spread of Lu–Te bond distances ranging from 3.04–3.40 Å. There are three inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 4-coordinate geometry to six equivalent Lu3+ atoms. In the second Te1- site, Te1- is bonded in a distorted single-bond geometry to one Lu3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.11 Å. In the third Te1- site, Te1- is bonded in a 4-coordinate geometry to four equivalent Te1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu2Te3 by Materials Project

Lu2Te3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LuTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two shorter (3.03 Å) and four longer (3.05 Å) Lu–Te bond lengths. In the second Lu3+ site, Lu3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing LuTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Lu–Te bond lengths are 3.03 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Lu3+ atoms.

36 MATERIALS SCIENCE↗