Materials Data on Na2UI6 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1199582· OSTI ID:1199582

The Materials Project

Na2UI6 is trigonal omega-derived structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Na2UI6 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent I1- atoms to form NaI6 octahedra that share edges with three equivalent NaI6 octahedra and edges with three equivalent UI6 octahedra. There are three shorter (3.26 Å) and three longer (3.27 Å) Na–I bond lengths. U4+ is bonded to six equivalent I1- atoms to form UI6 octahedra that share edges with six equivalent NaI6 octahedra. All U–I bond lengths are 3.03 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Na1+ and one U4+ 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: 1199582
• Report Number(s): mp-23546
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Na2UI6
I-Na-U