Materials Data on Er2Co7 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1275129· OSTI ID:1275129

Er2Co7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Er–Co bond distances ranging from 2.83–3.08 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. In the fourth Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. In the fifth Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. In the sixth Er site, Er is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Er–Co bond distances ranging from 2.85–3.24 Å. There are eight inequivalent Co sites. In the first Co site, Co is bonded to four Er and eight Co atoms to form a mixture of corner, edge, and face-sharing CoEr4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.47 Å. In the second Co site, Co is bonded to four Er and eight Co atoms to form a mixture of corner, edge, and face-sharing CoEr4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.47 Å. In the third Co site, Co is bonded to four Er and eight Co atoms to form CoEr4Co8 cuboctahedra that share corners with sixteen CoEr5Co7 cuboctahedra, edges with ten CoEr5Co7 cuboctahedra, and faces with ten CoEr4Co8 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.46 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six Co atoms. There are three shorter (2.42 Å) and three longer (2.46 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded to five Er and seven Co atoms to form a mixture of distorted corner, edge, and face-sharing CoEr5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.43–2.51 Å. In the sixth Co site, Co is bonded to four equivalent Er and eight Co atoms to form CoEr4Co8 cuboctahedra that share corners with sixteen CoEr4Co8 cuboctahedra, edges with ten CoEr4Co8 cuboctahedra, and faces with ten CoEr5Co7 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.47 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded in a 12-coordinate geometry to three equivalent Er and six Co atoms. In the eighth Co site, Co is bonded to six equivalent Er and six equivalent Co atoms to form CoEr6Co6 cuboctahedra that share corners with twelve equivalent CoEr5Co7 cuboctahedra, edges with six equivalent CoEr6Co6 cuboctahedra, and faces with eighteen equivalent CoEr5Co7 cuboctahedra.

• 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: 1275129
• Report Number(s): mp-569509
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Er
Er2Co7
crystal structure