Materials Data on Cs2TlInH6 by Materials Project

Dataset · Wed Jul 22 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1317071· OSTI ID:1317071

The Materials Project

Cs2InH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2InH6 framework. In the Cs2InH6 framework, Cs1+ is bonded to twelve equivalent H+0.67- atoms to form CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent InH6 octahedra. All Cs–H bond lengths are 3.26 Å. In1+ is bonded to six equivalent H+0.67- atoms to form InH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All In–H bond lengths are 1.98 Å. H+0.67- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one In1+ 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: 1317071
• Report Number(s): mp-996945
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Cs2TlInH6
Cs-H-In-Tl