Materials Data on TmIn2Pd by Materials Project

Dataset · Thu Apr 30 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1733025· OSTI ID:1733025

TmPdIn2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Pd and eight In atoms. All Tm–Pd bond lengths are 3.21 Å. There are four shorter (3.27 Å) and four longer (3.35 Å) Tm–In bond lengths. In the second Tm site, Tm is bonded in a 2-coordinate geometry to four Pd and nine In atoms. There are a spread of Tm–Pd bond distances ranging from 3.05–3.68 Å. There are a spread of Tm–In bond distances ranging from 3.13–3.45 Å. In the third Tm site, Tm is bonded in a 3-coordinate geometry to four Pd and eight In atoms. There are a spread of Tm–Pd bond distances ranging from 3.03–3.27 Å. There are a spread of Tm–In bond distances ranging from 3.18–3.56 Å. In the fourth Tm site, Tm is bonded in a 4-coordinate geometry to four equivalent Pd and eight In atoms. All Tm–Pd bond lengths are 2.95 Å. All Tm–In bond lengths are 3.35 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to five Tm and five In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.88 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two equivalent Tm and eight In atoms. There are four shorter (2.81 Å) and four longer (2.85 Å) Pd–In bond lengths. In the third Pd site, Pd is bonded in a 9-coordinate geometry to four Tm and six In atoms. There are a spread of Pd–In bond distances ranging from 2.77–2.89 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to six Tm, three Pd, and two equivalent In atoms. Both In–In bond lengths are 3.17 Å. In the second In site, In is bonded in a 3-coordinate geometry to two equivalent Tm and three Pd atoms. In the third In site, In is bonded in a 7-coordinate geometry to four Tm, three Pd, and one In atom. In the fourth In site, In is bonded in a 3-coordinate geometry to five Tm and three Pd atoms.

• 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: 1733025
• Report Number(s): mp-1207945
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Pd-Tm
TmIn2Pd
crystal structure