Materials Data on Th2Fe2Si2C by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1355497· OSTI ID:1355497

The Materials Project

Th2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th4+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Th–Si bond distances ranging from 3.03–3.13 Å. Both Th–C bond lengths are 2.65 Å. Fe2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. All Fe–Si bond lengths are 2.33 Å. The Fe–C bond length is 1.81 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Th4+ and three equivalent Fe2+ atoms. C4- is bonded to four equivalent Th4+ and two equivalent Fe2+ atoms to form distorted edge-sharing CTh4Fe2 octahedra.

• 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: 1355497
• Report Number(s): mp-1025382
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Th2Fe2Si2C
C-Fe-Si-Th