Materials Data on ThMn2SiC by Materials Project
ThMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (3.03 Å) and two longer (3.05 Å) Th–Si bond lengths. All Th–C bond lengths are 2.67 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.43 Å) and one longer (2.46 Å) Mn–Si bond lengths. The Mn–C bond length is 1.86 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Th4+ and six equivalent Mn2+ atoms. C4- is bonded to four equivalent Th4+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing CTh4Mn2 octahedra. The corner-sharing octahedral tilt angles are 24°.
- 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:
- 1695189
- Report Number(s):
- mp-1205614
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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