Materials Data on SbTePd by Materials Project

Dataset · Tue Jul 14 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1187396· OSTI ID:1187396

PdSbTe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pd4+ is bonded to three equivalent Sb2- and three equivalent Te2- atoms to form PdSb3Te3 octahedra that share corners with twelve equivalent PdSb3Te3 octahedra, corners with three equivalent SbTePd3 trigonal pyramids, and corners with three equivalent TeSbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Pd–Sb bond lengths are 2.73 Å. All Pd–Te bond lengths are 2.78 Å. Sb2- is bonded to three equivalent Pd4+ and one Te2- atom to form SbTePd3 trigonal pyramids that share corners with three equivalent PdSb3Te3 octahedra, corners with six equivalent SbTePd3 trigonal pyramids, and corners with nine equivalent TeSbPd3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Sb–Te bond length is 2.91 Å. Te2- is bonded to three equivalent Pd4+ and one Sb2- atom to form TeSbPd3 trigonal pyramids that share corners with three equivalent PdSb3Te3 octahedra, corners with six equivalent TeSbPd3 trigonal pyramids, and corners with nine equivalent SbTePd3 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: 1187396
• Report Number(s): mp-10850
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pd-Sb-Te
SbTePd
crystal structure