Materials Data on YWN3 by Materials Project

Dataset · Thu Jul 23 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1316874· OSTI ID:1316874

The Materials Project

YWN3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are three shorter (2.37 Å) and three longer (2.50 Å) Y–N bond lengths. W6+ is bonded to six equivalent N3- atoms to form distorted corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are three shorter (1.90 Å) and three longer (2.22 Å) W–N bond lengths. N3- is bonded to two equivalent Y3+ and two equivalent W6+ atoms to form a mixture of distorted edge and corner-sharing NY2W2 tetrahedra.

• 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: 1316874
• Report Number(s): mp-989576
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
YWN3
N-W-Y