Materials Data on Th(FeSi)2 by Materials Project
Th(FeSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Th–Si bond lengths are 3.15 Å. Fe2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.29 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Th4+, four equivalent Fe2+, and one Si4- atom. The Si–Si bond length is 2.66 Å.
- 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:
- 1291550
- Report Number(s):
- mp-7600
- Country of Publication:
- United States
- Language:
- English
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