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DOE OSTI2020

Materials Data on TaFeP by Materials Project

TaFeP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent P atoms. There are a spread of Ta–Fe bond distances ranging from 2.74–2.86 Å. There are one shorter (2.58 Å) and four longer (2.60 Å) Ta–P bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Ta and four equivalent P atoms. There are a spread of Fe–P bond distances ranging from 2.25–2.36 Å. P is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ta4FeP by Materials Project

Ta4FeP is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Ta is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent P atoms. Both Ta–Fe bond lengths are 2.57 Å. Both Ta–P bond lengths are 2.66 Å. Fe is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.55 Å. P is bonded in a 10-coordinate geometry to eight equivalent Ta and two equivalent P atoms. Both P–P bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗