Materials Data on Tb2In3Cu by Materials Project

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

DOI:https://doi.org/10.17188/1665022· OSTI ID:1665022

Tb2CuIn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to two equivalent Cu and ten In atoms to form a mixture of distorted face and edge-sharing TbIn10Cu2 cuboctahedra. Both Tb–Cu bond lengths are 3.23 Å. There are a spread of Tb–In bond distances ranging from 3.32–3.51 Å. In the second Tb site, Tb is bonded to four equivalent Cu and eight In atoms to form a mixture of distorted face and edge-sharing TbIn8Cu4 cuboctahedra. All Tb–Cu bond lengths are 3.30 Å. There are a spread of Tb–In bond distances ranging from 3.17–3.37 Å. Cu is bonded in a 9-coordinate geometry to six Tb and three In atoms. There are one shorter (2.64 Å) and two longer (2.69 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six Tb and three In atoms. There are two shorter (2.87 Å) and one longer (2.88 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to six Tb, two equivalent Cu, and one In atom. In the third In site, In is bonded in a 9-coordinate geometry to six Tb, one Cu, and two equivalent In 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: 1665022
• Report Number(s): mp-1217738
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-In-Tb
Tb2In3Cu
crystal structure