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Title: Materials Data on Rb2Np2O5 by Materials Project

Abstract

Rb2Np2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Rb–O bond lengths are 3.03 Å. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, faces with four equivalent RbO12 cuboctahedra, and faces with eight equivalent NpO5 square pyramids. There are four shorter (3.08 Å) and eight longer (3.21 Å) Rb–O bond lengths. Np4+ is bonded to five O2- atoms to form NpO5 square pyramids that share corners with five equivalent NpO5 square pyramids and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.15 Å) and four longer (2.19 Å) Np–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Np4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Np4+ atoms.

Publication Date:
Other Number(s):
mp-1186829
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb2Np2O5; Np-O-Rb
OSTI Identifier:
1663676
DOI:
https://doi.org/10.17188/1663676

Citation Formats

The Materials Project. Materials Data on Rb2Np2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663676.
The Materials Project. Materials Data on Rb2Np2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1663676
The Materials Project. 2020. "Materials Data on Rb2Np2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1663676. https://www.osti.gov/servlets/purl/1663676. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1663676,
title = {Materials Data on Rb2Np2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Np2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Rb–O bond lengths are 3.03 Å. In the second Rb1+ site, Rb1+ is bonded to twelve O2- atoms to form RbO12 cuboctahedra that share corners with four equivalent RbO12 cuboctahedra, faces with four equivalent RbO12 cuboctahedra, and faces with eight equivalent NpO5 square pyramids. There are four shorter (3.08 Å) and eight longer (3.21 Å) Rb–O bond lengths. Np4+ is bonded to five O2- atoms to form NpO5 square pyramids that share corners with five equivalent NpO5 square pyramids and faces with four equivalent RbO12 cuboctahedra. There are one shorter (2.15 Å) and four longer (2.19 Å) Np–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Rb1+ and two equivalent Np4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Np4+ atoms.},
doi = {10.17188/1663676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}