Materials Data on In2Se3 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1349826· OSTI ID:1349826

The Materials Project

In2Se3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one In2Se3 sheet oriented in the (0, 0, 1) direction. In3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.68 Å) and three longer (2.99 Å) In–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent In3+ atoms to form edge-sharing SeIn6 octahedra. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent In3+ 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: 1349826
• Report Number(s): mp-1017565
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
In2Se3
In-Se