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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu7(TePd)2 by Materials Project

Lu7(PdTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to three equivalent Pd and one Te atom. There are two shorter (2.81 Å) and one longer (3.15 Å) Lu–Pd bond lengths. The Lu–Te bond length is 3.11 Å. In the second Lu site, Lu is bonded in a 5-coordinate geometry to three Te atoms. There are two shorter (3.20 Å) and one longer (3.23 Å) Lu–Te bond lengths. In the third Lu site, Lu is bonded in a 5-coordinate geometry to two equivalent Pd and three Te atoms. Both Lu–Pd bond lengths are 2.82 Å. There are one shorter (3.07 Å) and two longer (3.14 Å) Lu–Te bond lengths. In the fourth Lu site, Lu is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Te atoms. Both Lu–Pd bond lengths are 2.87 Å. Both Lu–Te bond lengths are 3.12 Å. Pd is bonded in a 7-coordinate geometry to seven Lu atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to seven Lu atoms. In the second Te site, Te is bonded in a 8-coordinate geometry to eight Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni(TePd)2 by Materials Project

Pd2NiTe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pd is bonded in a 10-coordinate geometry to three equivalent Pd, two equivalent Ni, and five equivalent Te atoms. There are one shorter (2.93 Å) and two longer (3.09 Å) Pd–Pd bond lengths. Both Pd–Ni bond lengths are 2.93 Å. There are a spread of Pd–Te bond distances ranging from 2.67–3.03 Å. Ni is bonded in a 10-coordinate geometry to four equivalent Pd, two equivalent Ni, and four equivalent Te atoms. Both Ni–Ni bond lengths are 2.58 Å. All Ni–Te bond lengths are 2.54 Å. Te is bonded in a 7-coordinate geometry to five equivalent Pd and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(TePd)2 by Materials Project

Pd2CoTe2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Co is bonded in a 10-coordinate geometry to two equivalent Co, four equivalent Pd, and four equivalent Te atoms. Both Co–Co bond lengths are 2.63 Å. All Co–Pd bond lengths are 2.92 Å. All Co–Te bond lengths are 2.49 Å. Pd is bonded in a 10-coordinate geometry to two equivalent Co, three equivalent Pd, and five equivalent Te atoms. There are one shorter (2.91 Å) and two longer (3.12 Å) Pd–Pd bond lengths. There are a spread of Pd–Te bond distances ranging from 2.68–2.96 Å. Te is bonded in a 7-coordinate geometry to two equivalent Co and five equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TePd by Materials Project

PdTe is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd2+ is bonded to six equivalent Te2- atoms to form a mixture of edge, face, and corner-sharing PdTe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pd–Te bond lengths are 2.82 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent Pd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy7(TePd)2 by Materials Project

Dy7(PdTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Te atoms. Both Dy–Pd bond lengths are 2.94 Å. Both Dy–Te bond lengths are 3.16 Å. In the second Dy site, Dy is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.22 Å) and one longer (3.28 Å) Dy–Te bond lengths. In the third Dy site, Dy is bonded in a 5-coordinate geometry to two equivalent Pd and three Te atoms. Both Dy–Pd bond lengths are 2.90 Å. There are one shorter (3.14 Å) and two longer (3.20 Å) Dy–Te bond lengths. In the fourth Dy site, Dy is bonded in a 4-coordinate geometry to three equivalent Pd and one Te atom. There are two shorter (2.87 Å) and one longer (3.21 Å) Dy–Pd bond lengths. The Dy–Te bond length is 3.20 Å. Pd is bonded in a 7-coordinate geometry to seven Dy atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Dy atoms.

36 MATERIALS SCIENCE↗