Materials Data on Na3NpO10 by Materials Project

Dataset · Sat Jul 18 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1654536· OSTI ID:1654536

Na3NpO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with four equivalent NpO6 octahedra. The corner-sharing octahedra tilt angles range from 26–61°. There are a spread of Na–O bond distances ranging from 2.28–2.67 Å. In the second Na site, Na is bonded in a 2-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.32–2.91 Å. Np is bonded to six O atoms to form NpO6 octahedra that share corners with four equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–61°. There are a spread of Np–O bond distances ranging from 1.88–2.45 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Na, one Np, and one O atom. The O–O bond length is 1.41 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to two Na and one Np atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to two Na and one Np atom. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Na and one O atom. The O–O bond length is 1.34 Å. In the fifth O site, O is bonded in a see-saw-like geometry to two Na and two O atoms.

• 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: 1654536
• Report Number(s): mp-1180306
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Na-Np-O
Na3NpO10
crystal structure