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Title: Materials Data on U(FeP3)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196314· OSTI ID:1196314

UFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. U3+ is bonded to twelve equivalent P1- atoms to form UP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All U–P bond lengths are 2.96 Å. Fe+2.25+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent UP12 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. All Fe–P bond lengths are 2.23 Å. P1- is bonded in a distorted bent 120 degrees geometry to one U3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. Both P–P bond lengths are 2.35 Å.

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:
1196314
Report Number(s):
mp-21053
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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