Materials Data on MnFeAs by Materials Project
MnFeAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Fe and five As atoms. There are two shorter (2.74 Å) and four longer (2.81 Å) Mn–Fe bond lengths. There are one shorter (2.54 Å) and four longer (2.57 Å) Mn–As bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Mn and four As atoms. There are two shorter (2.35 Å) and two longer (2.37 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Fe atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent Mn and three equivalent Fe atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1207989
- Report Number(s):
- mp-4238
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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