Materials Data on TlSbSe2 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1726861· OSTI ID:1726861

The Materials Project

TlSbSe2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are four shorter (3.15 Å) and two longer (3.74 Å) Tl–Se bond lengths. Sb3+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing SbSe5 square pyramids. There are one shorter (2.53 Å) and four longer (2.98 Å) Sb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and four equivalent Sb3+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Sb3+ atom.

• 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: 1726861
• Report Number(s): mp-1216592
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
TlSbSe2
Sb-Se-Tl