Materials Data on Er5(In2Pt)2 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1752153· OSTI ID:1752153

Er5(PtIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to two equivalent Pt and six In atoms. Both Er–Pt bond lengths are 2.81 Å. There are a spread of Er–In bond distances ranging from 3.22–3.39 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to four equivalent Pt and six In atoms. There are two shorter (2.94 Å) and two longer (2.95 Å) Er–Pt bond lengths. There are a spread of Er–In bond distances ranging from 3.32–3.42 Å. In the third Er site, Er is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.22 Å) and four longer (3.32 Å) Er–In bond lengths. Pt is bonded in a 9-coordinate geometry to six Er and three In atoms. There are a spread of Pt–In bond distances ranging from 2.91–3.37 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to eight Er, two equivalent Pt, and one In atom. The In–In bond length is 3.36 Å. In the second In site, In is bonded in a 9-coordinate geometry to eight Er, one Pt, and one In atom.

• 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: 1752153
• Report Number(s): mp-1213169
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-In-Pt
Er5(In2Pt)2
crystal structure