Materials Data on Mn5SiB2 by Materials Project
Mn5SiB2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four equivalent B3- and two equivalent Si4- atoms. All Mn–B bond lengths are 2.21 Å. Both Mn–Si bond lengths are 2.58 Å. In the second Mn2+ site, Mn2+ is bonded to three equivalent B3- and two equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing MnSi2B3 trigonal bipyramids. There are two shorter (2.15 Å) and one longer (2.19 Å) Mn–B bond lengths. Both Mn–Si bond lengths are 2.38 Å. B3- is bonded in a 9-coordinate geometry to eight Mn2+ and one B3- atom. The B–B bond length is 1.90 Å. Si4- is bonded in a 10-coordinate geometry to ten Mn2+ 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:
- 1653440
- Report Number(s):
- mp-1189157
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Fe5SiB2 by Materials Project
Materials Data on Mn3B4W by Materials Project