Materials Data on Tm2SiPd2 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1732042· OSTI ID:1732042

Tm2Pd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 8-coordinate geometry to seven Pd and two equivalent Si atoms. There are a spread of Tm–Pd bond distances ranging from 3.01–3.10 Å. There are one shorter (3.10 Å) and one longer (3.21 Å) Tm–Si bond lengths. In the second Tm site, Tm is bonded in a 4-coordinate geometry to five Pd and four equivalent Si atoms. There are a spread of Tm–Pd bond distances ranging from 2.87–3.18 Å. There are two shorter (2.92 Å) and two longer (3.07 Å) Tm–Si bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to six Tm and one Si atom. The Pd–Si bond length is 2.61 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six Tm, one Pd, and two equivalent Si atoms. The Pd–Pd bond length is 2.73 Å. Both Pd–Si bond lengths are 2.41 Å. Si is bonded in a 10-coordinate geometry to six Tm, three Pd, and one Si atom. The Si–Si bond length is 2.41 Å.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1732042
• Report Number(s): mp-1216871
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pd-Si-Tm
Tm2SiPd2
crystal structure