Materials Data on SbSI by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1314048· OSTI ID:1314048

The Materials Project

SbSI crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sb3+ is bonded in a 6-coordinate geometry to three equivalent S2- and three equivalent I1- atoms. There are one shorter (2.51 Å) and two longer (2.72 Å) Sb–S bond lengths. There are a spread of Sb–I bond distances ranging from 3.13–3.61 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. I1- is bonded in a 2-coordinate geometry to three equivalent Sb3+ atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1314048
• Report Number(s): mp-973217
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
SbSI
I-S-Sb