Materials Data on KNa2BO3 by Materials Project

Dataset · Tue Jul 14 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1308000· OSTI ID:1308000

KNa2BO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are four shorter (2.83 Å) and two longer (3.13 Å) K–O bond lengths. Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are three shorter (2.33 Å) and two longer (2.47 Å) Na–O bond lengths. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.39 Å) and two longer (1.41 Å) B–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, four equivalent Na1+, and one B3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four equivalent K1+, two equivalent Na1+, and one B3+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1308000
• Report Number(s): mp-8263
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
B-K-Na-O
KNa2BO3
crystal structure