Materials Data on EuIn4Ni by Materials Project

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

DOI:https://doi.org/10.17188/1741569· OSTI ID:1741569

EuNiIn4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 5-coordinate geometry to two equivalent Ni and thirteen In atoms. There are one shorter (3.46 Å) and one longer (3.51 Å) Eu–Ni bond lengths. There are a spread of Eu–In bond distances ranging from 3.32–3.73 Å. In the second Eu site, Eu is bonded in a 5-coordinate geometry to two equivalent Ni and thirteen In atoms. There are one shorter (3.47 Å) and one longer (3.51 Å) Eu–Ni bond lengths. There are a spread of Eu–In bond distances ranging from 3.30–3.72 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Eu and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.56–2.79 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Eu and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.56–2.79 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to three Eu, three Ni, and one In atom. The In–In bond length is 3.23 Å. In the second In site, In is bonded in a 12-coordinate geometry to three Eu, three Ni, and one In atom. The In–In bond length is 3.23 Å. In the third In site, In is bonded in a 2-coordinate geometry to three Eu, one Ni, and four In atoms. There are a spread of In–In bond distances ranging from 3.15–3.19 Å. In the fourth In site, In is bonded in a 12-coordinate geometry to three Eu, three Ni, and one In atom. The In–In bond length is 3.24 Å. In the fifth In site, In is bonded in a 2-coordinate geometry to three Eu, one Ni, and four In atoms. There are a spread of In–In bond distances ranging from 3.15–3.18 Å. In the sixth In site, In is bonded in a 10-coordinate geometry to four Eu and six In atoms. In the seventh In site, In is bonded in a 10-coordinate geometry to four Eu and six In atoms. The In–In bond length is 3.25 Å. In the eighth In site, In is bonded in a 12-coordinate geometry to three Eu, three Ni, 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: 1741569
• Report Number(s): mp-1103002
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-In-Ni
EuIn4Ni
crystal structure