Materials Data on ErMn2 by Materials Project
ErMn2 is Hexagonal Laves structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are a spread of Er–Er bond distances ranging from 3.06–3.19 Å. There are a spread of Er–Mn bond distances ranging from 2.90–3.13 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four Er and twelve Mn atoms. There are one shorter (3.14 Å) and two longer (3.16 Å) Er–Er bond lengths. There are a spread of Er–Mn bond distances ranging from 2.90–3.08 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.64 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded to six equivalent Er and six Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. There are four shorter (2.48 Å) and two longer (2.66 Å) Mn–Mn bond lengths. In the third Mn site, Mn is bonded to six Er and six Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.56 Å) Mn–Mn bond lengths. In the fourth Mn site, Mn is bonded to six Er and six Mn atoms to form a mixture of face, edge, and corner-sharing MnEr6Mn6 cuboctahedra. There are one shorter (2.58 Å) and one longer (2.69 Å) Mn–Mn bond lengths.
- 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:
- 1728147
- Report Number(s):
- mp-1095567
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on ErMn2 by Materials Project
Materials Data on GdEr3Mn8 by Materials Project
Materials Data on PrEr3Mn8 by Materials Project
Dataset
·
Wed May 10 00:00:00 EDT 2017
·
OSTI ID:1188435
Materials Data on GdEr3Mn8 by Materials Project
Dataset
·
Sat Jan 12 23:00:00 EST 2019
·
OSTI ID:1676731
Materials Data on PrEr3Mn8 by Materials Project
Dataset
·
Fri Jan 11 23:00:00 EST 2019
·
OSTI ID:1672601