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Title: Materials Data on Rb2LuCl5 by Materials Project

Abstract

Rb2LuCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.46–3.87 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.37–3.72 Å. Lu3+ is bonded to six Cl1- atoms to form corner-sharing LuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Lu–Cl bond distances ranging from 2.52–2.68 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Lu3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Lu3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Lu3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Lu3+ atoms.

Publication Date:
Other Number(s):
mp-1209613
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; Rb2LuCl5; Cl-Lu-Rb
OSTI Identifier:
1747146
DOI:
https://doi.org/10.17188/1747146

Citation Formats

The Materials Project. Materials Data on Rb2LuCl5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747146.
The Materials Project. Materials Data on Rb2LuCl5 by Materials Project. United States. doi:https://doi.org/10.17188/1747146
The Materials Project. 2020. "Materials Data on Rb2LuCl5 by Materials Project". United States. doi:https://doi.org/10.17188/1747146. https://www.osti.gov/servlets/purl/1747146. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1747146,
title = {Materials Data on Rb2LuCl5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2LuCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.46–3.87 Å. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.37–3.72 Å. Lu3+ is bonded to six Cl1- atoms to form corner-sharing LuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Lu–Cl bond distances ranging from 2.52–2.68 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Rb1+ and one Lu3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Rb1+ and one Lu3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Lu3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Lu3+ atoms.},
doi = {10.17188/1747146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}