Materials Data on Mn23C6 by Materials Project
Mn23C6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted cuboctahedral geometry to twelve equivalent Mn atoms. All Mn–Mn bond lengths are 2.46 Å. In the second Mn site, Mn is bonded in a distorted tetrahedral geometry to four equivalent Mn atoms. All Mn–Mn bond lengths are 2.38 Å. In the third Mn site, Mn is bonded in a trigonal non-coplanar geometry to one Mn and three equivalent C atoms. All Mn–C bond lengths are 2.06 Å. In the fourth Mn site, Mn is bonded in a bent 150 degrees geometry to one Mn and two equivalent C atoms. Both Mn–C bond lengths are 2.07 Å. C is bonded in a 8-coordinate geometry to eight Mn 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:
- 1266748
- Report Number(s):
- mp-542830
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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