Materials Data on Sb2Se3 by Materials Project

Dataset · Wed Jul 15 04:00:00 UTC 2020

DOI:https://doi.org/10.17188/1281909· OSTI ID:1281909

Sb2Se3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four Sb2Se3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are one shorter (2.57 Å) and two longer (2.65 Å) Sb–Se bond lengths. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are one shorter (2.62 Å) and two longer (2.63 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Sb3+ atoms. In the second Se2- site, Se2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the third Se2- site, Se2- is bonded in an L-shaped geometry to two equivalent Sb3+ atoms.

• 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: 1281909
• Report Number(s): mp-672706
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Sb-Se
Sb2Se3
crystal structure