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Title: Materials Data on Rb5NO5 by Materials Project

Abstract

RbRb4NO5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one rubidium molecule and one Rb4NO5 sheet oriented in the (0, 1, 0) direction. In the Rb4NO5 sheet, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. There are one shorter (2.55 Å) and one longer (2.58 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.40 Å. N5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.41 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one N5+, and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and onemore » O2- atom. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Rb1+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-677516
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb5NO5; N-O-Rb
OSTI Identifier:
1283358
DOI:
https://doi.org/10.17188/1283358

Citation Formats

The Materials Project. Materials Data on Rb5NO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283358.
The Materials Project. Materials Data on Rb5NO5 by Materials Project. United States. doi:https://doi.org/10.17188/1283358
The Materials Project. 2020. "Materials Data on Rb5NO5 by Materials Project". United States. doi:https://doi.org/10.17188/1283358. https://www.osti.gov/servlets/purl/1283358. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1283358,
title = {Materials Data on Rb5NO5 by Materials Project},
author = {The Materials Project},
abstractNote = {RbRb4NO5 crystallizes in the monoclinic Pm space group. The structure is two-dimensional and consists of one rubidium molecule and one Rb4NO5 sheet oriented in the (0, 1, 0) direction. In the Rb4NO5 sheet, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. There are one shorter (2.55 Å) and one longer (2.58 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–3.40 Å. N5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.23 Å) and one longer (1.41 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+, one N5+, and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and one O2- atom. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four Rb1+ atoms.},
doi = {10.17188/1283358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}