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Title: Materials Data on TbFe2SiC by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1710860· OSTI ID:1710860

TbFe2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to three equivalent Si4- and four equivalent C4- atoms. There are one shorter (2.93 Å) and two longer (2.97 Å) Tb–Si bond lengths. All Tb–C bond lengths are 2.59 Å. Fe+2.50+ is bonded in a single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.37 Å) and one longer (2.38 Å) Fe–Si bond lengths. The Fe–C bond length is 1.78 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Tb3+ and six equivalent Fe+2.50+ atoms. C4- is bonded to four equivalent Tb3+ and two equivalent Fe+2.50+ atoms to form a mixture of edge and corner-sharing CTb4Fe2 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:
1710860
Report Number(s):
mp-1205543
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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