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Title: Materials Data on FeP2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195198· OSTI ID:1195198

FeP2 is zeta iron carbide structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent P+1.50- atoms to form a mixture of edge and corner-sharing FeP6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two shorter (2.24 Å) and four longer (2.25 Å) Fe–P bond lengths. P+1.50- is bonded in a 4-coordinate geometry to three equivalent Fe3+ atoms.

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:
1195198
Report Number(s):
mp-20027
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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