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Title: Materials Data on Rb4N2O7 by Materials Project

Abstract

Rb4N2O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.78–2.99 Å. In the second Rb1+ site, Rb1+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RbO6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are a spread of Rb–O bond distances ranging from 2.89–3.08 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.39 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.11 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.27 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There aremore » seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Rb1+ atoms to form distorted corner-sharing ORb4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one N5+ atom. In the fifth O2- site, O2- is bonded to four Rb1+ atoms to form corner-sharing ORb4 trigonal pyramids. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+ and one N5+ atom.« less

Publication Date:
Other Number(s):
mp-676368
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; Rb4N2O7; N-O-Rb
OSTI Identifier:
1283030
DOI:
https://doi.org/10.17188/1283030

Citation Formats

The Materials Project. Materials Data on Rb4N2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283030.
The Materials Project. Materials Data on Rb4N2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1283030
The Materials Project. 2020. "Materials Data on Rb4N2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1283030. https://www.osti.gov/servlets/purl/1283030. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1283030,
title = {Materials Data on Rb4N2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4N2O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.78–2.99 Å. In the second Rb1+ site, Rb1+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RbO6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are a spread of Rb–O bond distances ranging from 2.89–3.08 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.39 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.11 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.27 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Rb1+ atoms to form distorted corner-sharing ORb4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Rb1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one N5+ atom. In the fifth O2- site, O2- is bonded to four Rb1+ atoms to form corner-sharing ORb4 trigonal pyramids. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Rb1+ and one N5+ atom.},
doi = {10.17188/1283030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}