Materials Data on Eu2In3Ni by Materials Project

Dataset · Sun Jan 13 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1722070· OSTI ID:1722070

Eu2NiIn3 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to two equivalent Ni and ten In atoms. Both Eu–Ni bond lengths are 3.25 Å. There are a spread of Eu–In bond distances ranging from 3.38–3.76 Å. In the second Eu site, Eu is bonded to four equivalent Ni and eight In atoms to form a mixture of distorted edge and face-sharing EuIn8Ni4 cuboctahedra. All Eu–Ni bond lengths are 3.36 Å. There are a spread of Eu–In bond distances ranging from 3.21–3.57 Å. Ni is bonded in a 9-coordinate geometry to six Eu and three In atoms. There are one shorter (2.70 Å) and two longer (2.71 Å) Ni–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 9-coordinate geometry to six Eu and three In atoms. There are two shorter (2.92 Å) and one longer (2.98 Å) In–In bond lengths. In the second In site, In is bonded in a 9-coordinate geometry to six Eu, two equivalent Ni, and one In atom. In the third In site, In is bonded in a 1-coordinate geometry to six Eu, one Ni, 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: 1722070
• Report Number(s): mp-1225919
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Eu-In-Ni
Eu2In3Ni
crystal structure