Materials Data on SbPtSe by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1739703· OSTI ID:1739703

PtSbSe is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Pt5+ is bonded to three equivalent Sb3- and three equivalent Se2- atoms to form PtSb3Se3 octahedra that share corners with twelve equivalent PtSb3Se3 octahedra, corners with three equivalent SbPt3Se tetrahedra, and corners with three equivalent SeSbPt3 tetrahedra. The corner-sharing octahedra tilt angles range from 63–64°. All Pt–Sb bond lengths are 2.67 Å. All Pt–Se bond lengths are 2.68 Å. Sb3- is bonded to three equivalent Pt5+ and one Se2- atom to form SbPt3Se tetrahedra that share corners with three equivalent PtSb3Se3 octahedra, corners with six equivalent SbPt3Se tetrahedra, and corners with nine equivalent SeSbPt3 tetrahedra. The corner-sharing octahedral tilt angles are 79°. The Sb–Se bond length is 2.70 Å. Se2- is bonded to three equivalent Pt5+ and one Sb3- atom to form SeSbPt3 tetrahedra that share corners with three equivalent PtSb3Se3 octahedra, corners with six equivalent SeSbPt3 tetrahedra, and corners with nine equivalent SbPt3Se 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: 1739703
• Report Number(s): mp-1101950
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Pt-Sb-Se
SbPtSe
crystal structure