Materials Data on Er5Ga2As by Materials Project

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

DOI:https://doi.org/10.17188/1707629· OSTI ID:1707629

Er5Ga2As crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to four Ga and two equivalent As atoms. There are a spread of Er–Ga bond distances ranging from 3.02–3.06 Å. There are one shorter (3.06 Å) and one longer (3.08 Å) Er–As bond lengths. In the second Er site, Er is bonded in a 3-coordinate geometry to three Ga and two equivalent As atoms. There are one shorter (2.91 Å) and two longer (3.47 Å) Er–Ga bond lengths. There are one shorter (2.92 Å) and one longer (3.09 Å) Er–As bond lengths. In the third Er site, Er is bonded in a 3-coordinate geometry to three Ga and two equivalent As atoms. There are one shorter (3.02 Å) and two longer (3.47 Å) Er–Ga bond lengths. Both Er–As bond lengths are 2.89 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to three Ga and two equivalent As atoms. There are a spread of Er–Ga bond distances ranging from 2.92–3.06 Å. Both Er–As bond lengths are 3.46 Å. In the fifth Er site, Er is bonded in a 3-coordinate geometry to five Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.93–3.48 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to nine Er atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to nine Er atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Er atoms. As is bonded in a 9-coordinate geometry to nine Er 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: 1707629
• Report Number(s): mp-1225757
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
As-Er-Ga
Er5Ga2As
crystal structure