Materials Data on K2TaCl6 by Materials Project

Dataset · Fri Jul 17 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1205610· OSTI ID:1205610

The Materials Project

K2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All K–Cl bond lengths are 3.58 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ta–Cl bond lengths are 2.42 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ta4+ 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: 1205610
• Report Number(s): mp-31363
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
K2TaCl6
Cl-K-Ta