Materials Data on KLi6IrO6 by Materials Project

Dataset · Wed May 10 00:00:00 EDT 2017

DOI:https://doi.org/10.17188/1190689· OSTI ID:1190689

The Materials Project

KLi6IrO6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to twelve equivalent Li1+ and twelve equivalent O2- atoms. All K–Li bond lengths are 2.99 Å. There are six shorter (2.99 Å) and six longer (3.10 Å) K–O bond lengths. Li1+ is bonded in a distorted rectangular see-saw-like geometry to two equivalent K1+ and four equivalent O2- atoms. There is two shorter (1.95 Å) and two longer (1.98 Å) Li–O bond length. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.03 Å. O2- is bonded in a 5-coordinate geometry to two equivalent K1+, four equivalent Li1+, and one Ir5+ 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: 1190689
• Report Number(s): mp-14466
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
KLi6IrO6
Ir-K-Li-O