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Title: Materials Data on Rb3P6N11 by Materials Project

Abstract

Rb3P6N11 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Rb–N bond distances ranging from 2.91–3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are two shorter (3.25 Å) and six longer (3.37 Å) Rb–N bond lengths. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.72 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Rb1+ and three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a water-like geometry to four Rb1+ and two equivalent P5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent P5+ atoms.

Publication Date:
Other Number(s):
mp-16107
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; Rb3P6N11; N-P-Rb
OSTI Identifier:
1191566
DOI:
10.17188/1191566

Citation Formats

The Materials Project. Materials Data on Rb3P6N11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191566.
The Materials Project. Materials Data on Rb3P6N11 by Materials Project. United States. doi:10.17188/1191566.
The Materials Project. 2020. "Materials Data on Rb3P6N11 by Materials Project". United States. doi:10.17188/1191566. https://www.osti.gov/servlets/purl/1191566. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1191566,
title = {Materials Data on Rb3P6N11 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3P6N11 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Rb–N bond distances ranging from 2.91–3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are two shorter (3.25 Å) and six longer (3.37 Å) Rb–N bond lengths. P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.60–1.72 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Rb1+ and three equivalent P5+ atoms. In the second N3- site, N3- is bonded in a water-like geometry to four Rb1+ and two equivalent P5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent P5+ atoms.},
doi = {10.17188/1191566},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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