skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs7Np3(Cl2O)6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277134· OSTI ID:1277134

Cs7Np3(OCl2)6 crystallizes in the cubic I-43d space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three equivalent O2- and six equivalent Cl1- atoms. All Cs–O bond lengths are 3.24 Å. There are three shorter (3.79 Å) and three longer (3.88 Å) Cs–Cl bond lengths. In the second Cs1+ site, Cs1+ is bonded to eight equivalent Cl1- atoms to form distorted corner-sharing CsCl8 hexagonal bipyramids. There are four shorter (3.61 Å) and four longer (3.64 Å) Cs–Cl bond lengths. Np+5.67+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Cl1- atoms. Both Np–O bond lengths are 1.81 Å. All Np–Cl bond lengths are 2.70 Å. O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Np+5.67+ atom. Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Np+5.67+ 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:
1277134
Report Number(s):
mp-585476
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on CsRe(Cl2O)2 by Materials Project
Dataset · Sat May 02 00:00:00 EDT 2020 · OSTI ID:1277134

Materials Data on Cs2MoN(Cl2O)2 by Materials Project
Dataset · Fri Jan 11 00:00:00 EST 2019 · OSTI ID:1277134

Materials Data on Cs3Np(Cl2O)2 by Materials Project
Dataset · Thu Jul 23 00:00:00 EDT 2020 · OSTI ID:1277134