Materials Data on K2TeI6 by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1201887· OSTI ID:1201887

The Materials Project

K2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.64–4.03 Å. Te4+ is bonded in an octahedral geometry to six I1- atoms. All Te–I bond lengths are 2.98 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Te4+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom. In the third I1- site, I1- is bonded in a distorted see-saw-like geometry to three equivalent K1+ and one Te4+ 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: 1201887
• Report Number(s): mp-27688
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
K2TeI6
I-K-Te