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Title: Materials Data on Rb4P2Se9 by Materials Project

Abstract

Rb4P2Se9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.54–3.81 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.68–3.91 Å. P4+ is bonded in a tetrahedral geometry to four Se+1.33- atoms. There are a spread of P–Se bond distances ranging from 2.18–2.37 Å. There are five inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Se+1.33- atoms. Both Se–Se bond lengths are 2.38 Å. In the second Se+1.33- site, Se+1.33- is bonded in a distorted single-bond geometry to two Rb1+, one P4+, and one Se+1.33- atom. In the third Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to four Rb1+ and one P4+ atom. In the fourth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to four Rb1+ and one P4+ atom. In the fifth Se+1.33- site, Se+1.33- is bonded inmore » a 1-coordinate geometry to five Rb1+ and one P4+ atom.« less

Publication Date:
Other Number(s):
mp-569862
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; Rb4P2Se9; P-Rb-Se
OSTI Identifier:
1272848
DOI:
10.17188/1272848

Citation Formats

The Materials Project. Materials Data on Rb4P2Se9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272848.
The Materials Project. Materials Data on Rb4P2Se9 by Materials Project. United States. doi:10.17188/1272848.
The Materials Project. 2020. "Materials Data on Rb4P2Se9 by Materials Project". United States. doi:10.17188/1272848. https://www.osti.gov/servlets/purl/1272848. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1272848,
title = {Materials Data on Rb4P2Se9 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4P2Se9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.54–3.81 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Rb–Se bond distances ranging from 3.68–3.91 Å. P4+ is bonded in a tetrahedral geometry to four Se+1.33- atoms. There are a spread of P–Se bond distances ranging from 2.18–2.37 Å. There are five inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Se+1.33- atoms. Both Se–Se bond lengths are 2.38 Å. In the second Se+1.33- site, Se+1.33- is bonded in a distorted single-bond geometry to two Rb1+, one P4+, and one Se+1.33- atom. In the third Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to four Rb1+ and one P4+ atom. In the fourth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to four Rb1+ and one P4+ atom. In the fifth Se+1.33- site, Se+1.33- is bonded in a 1-coordinate geometry to five Rb1+ and one P4+ atom.},
doi = {10.17188/1272848},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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