Materials Data on SbTeRh by Materials Project

Dataset · Thu Sep 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1758894· OSTI ID:1758894

RhSbTe is Ilmenite-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 Te2- atoms to form RhSb3Te3 octahedra that share corners with twelve equivalent RhSb3Te3 octahedra, corners with three equivalent SbTeRh3 trigonal pyramids, and corners with three equivalent TeSbRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Rh–Sb bond lengths are 2.67 Å. All Rh–Te bond lengths are 2.70 Å. Sb1- is bonded to three equivalent Rh3+ and one Te2- atom to form distorted SbTeRh3 trigonal pyramids that share corners with three equivalent RhSb3Te3 octahedra, corners with six equivalent SbTeRh3 trigonal pyramids, and corners with nine equivalent TeSbRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sb–Te bond length is 2.85 Å. Te2- is bonded to three equivalent Rh3+ and one Sb1- atom to form distorted TeSbRh3 trigonal pyramids that share corners with three equivalent RhSb3Te3 octahedra, corners with six equivalent TeSbRh3 trigonal pyramids, and corners with nine equivalent SbTeRh3 trigonal pyramids. The corner-sharing octahedral tilt angles are 81°.

• 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: 1758894
• Report Number(s): mp-1219458
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Rh-Sb-Te
SbTeRh
crystal structure