Materials Data on SbRhSe by Materials Project

Dataset · Wed Jul 18 04:00:00 EDT 2018

DOI:https://doi.org/10.17188/1694876· OSTI ID:1694876

RhSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh3+ is bonded to three equivalent Sb1- and three equivalent Se2- atoms to form RhSb3Se3 octahedra that share corners with twelve equivalent RhSb3Se3 octahedra, corners with three equivalent SbRh3Se tetrahedra, and corners with three equivalent SeSbRh3 tetrahedra. The corner-sharing octahedral tilt angles are 63°. All Rh–Sb bond lengths are 2.63 Å. All Rh–Se bond lengths are 2.57 Å. Sb1- is bonded to three equivalent Rh3+ and one Se2- atom to form SbRh3Se tetrahedra that share corners with three equivalent RhSb3Se3 octahedra, corners with six equivalent SbRh3Se tetrahedra, and corners with nine equivalent SeSbRh3 tetrahedra. The corner-sharing octahedral tilt angles are 80°. The Sb–Se bond length is 2.65 Å. Se2- is bonded to three equivalent Rh3+ and one Sb1- atom to form SeSbRh3 tetrahedra that share corners with three equivalent RhSb3Se3 octahedra, corners with six equivalent SeSbRh3 tetrahedra, and corners with nine equivalent SbRh3Se tetrahedra. The corner-sharing octahedral tilt angles are 79°.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1694876
• Report Number(s): mp-1102366
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Rh-Sb-Se
SbRhSe
crystal structure