Materials Data on Ce(FeP3)4 by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1191751· OSTI ID:1191751

The Materials Project

CeFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent P1- atoms to form CeP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Ce–P bond lengths are 2.98 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 CeP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a 2-coordinate geometry to one Ce3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. There are one shorter (2.32 Å) and one longer (2.36 Å) P–P bond lengths.

• 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: 1191751
• Report Number(s): mp-16272
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ce(FeP3)4
Ce-Fe-P