Materials Data on KN3 by Materials Project

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

DOI:https://doi.org/10.17188/1279553· OSTI ID:1279553

The Materials Project

KN3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded to six N+0.33- atoms to form corner-sharing KN6 octahedra. The corner-sharing octahedra tilt angles range from 0–75°. There are two shorter (2.69 Å) and four longer (3.08 Å) K–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a trigonal planar geometry to two equivalent K1+ and one N+0.33- atom. The N–N bond length is 1.12 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent K1+ atoms.

• 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: 1279553
• Report Number(s): mp-636056
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
KN3
K-N