Materials Data on InSnBr3 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1317349· OSTI ID:1317349

The Materials Project

InSnBr3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. In1+ is bonded in a 6-coordinate geometry to six equivalent Br1- atoms. There are three shorter (3.32 Å) and three longer (3.44 Å) In–Br bond lengths. Sn2+ is bonded to six equivalent Br1- atoms to form corner-sharing SnBr6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are three shorter (2.87 Å) and three longer (3.16 Å) Sn–Br bond lengths. Br1- is bonded in a 4-coordinate geometry to two equivalent In1+ and two equivalent Sn2+ 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: 1317349
• Report Number(s): mp-998555
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
InSnBr3
Br-In-Sn