Materials Data on Th(FeP3)4 by Materials Project
ThFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent P1- atoms to form ThP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Th–P bond lengths are 2.99 Å. Fe2+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent ThP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a distorted bent 120 degrees geometry to one Th4+, two equivalent Fe2+, and two equivalent P1- atoms. There are one shorter (2.32 Å) and one longer (2.38 Å) P–P bond lengths.
- 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:
- 1313456
- Report Number(s):
- mp-9619
- Country of Publication:
- United States
- Language:
- English
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