skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on P3Rh by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189664· OSTI ID:1189664

RhP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent P1- atoms to form RhP6 octahedra that share corners with six equivalent RhP6 octahedra and corners with twelve equivalent PP2Rh2 tetrahedra. The corner-sharing octahedral tilt angles are 63°. All Rh–P bond lengths are 2.36 Å. P1- is bonded to two equivalent Rh3+ and two equivalent P1- atoms to form PP2Rh2 tetrahedra that share corners with four equivalent RhP6 octahedra, corners with ten equivalent PP2Rh2 tetrahedra, and an edgeedge with one PP2Rh2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–69°. There are one shorter (2.25 Å) and one longer (2.32 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:
1189664
Report Number(s):
mp-1357
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Fe3(CuS5)2 by Materials Project
Dataset · Wed Apr 29 00:00:00 EDT 2020 · OSTI ID:1189664

Materials Data on P3Ir by Materials Project
Dataset · Wed Jul 15 00:00:00 EDT 2020 · OSTI ID:1189664

Materials Data on Ca6Al6Si3(HO12)2 by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1189664