skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on RbLu3F10 by Materials Project

Abstract

RbLu3F10 crystallizes in the orthorhombic Cmce 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 F1- atoms. There are a spread of Rb–F bond distances ranging from 2.99–3.25 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.98 Å) and four longer (3.01 Å) Rb–F bond lengths. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven F1- atoms to form a mixture of edge and corner-sharing LuF7 pentagonal bipyramids. There are a spread of Lu–F bond distances ranging from 2.12–2.30 Å. In the second Lu3+ site, Lu3+ is bonded to seven F1- atoms to form a mixture of edge and corner-sharing LuF7 pentagonal bipyramids. There are a spread of Lu–F bond distances ranging from 2.14–2.41 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three Lu3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Lu3+ atoms. In the third F1- site, F1- is bonded inmore » a linear geometry to two equivalent Lu3+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Rb1+ and two equivalent Lu3+ atoms. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Rb1+ and two equivalent Lu3+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two Lu3+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Lu3+ atoms.« less

Publication Date:
Other Number(s):
mp-558186
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; RbLu3F10; F-Lu-Rb
OSTI Identifier:
1270207
DOI:
https://doi.org/10.17188/1270207

Citation Formats

The Materials Project. Materials Data on RbLu3F10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270207.
The Materials Project. Materials Data on RbLu3F10 by Materials Project. United States. doi:https://doi.org/10.17188/1270207
The Materials Project. 2020. "Materials Data on RbLu3F10 by Materials Project". United States. doi:https://doi.org/10.17188/1270207. https://www.osti.gov/servlets/purl/1270207. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1270207,
title = {Materials Data on RbLu3F10 by Materials Project},
author = {The Materials Project},
abstractNote = {RbLu3F10 crystallizes in the orthorhombic Cmce 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 F1- atoms. There are a spread of Rb–F bond distances ranging from 2.99–3.25 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.98 Å) and four longer (3.01 Å) Rb–F bond lengths. There are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to seven F1- atoms to form a mixture of edge and corner-sharing LuF7 pentagonal bipyramids. There are a spread of Lu–F bond distances ranging from 2.12–2.30 Å. In the second Lu3+ site, Lu3+ is bonded to seven F1- atoms to form a mixture of edge and corner-sharing LuF7 pentagonal bipyramids. There are a spread of Lu–F bond distances ranging from 2.14–2.41 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three Lu3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Lu3+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent Lu3+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Rb1+ and two equivalent Lu3+ atoms. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Rb1+ and two equivalent Lu3+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Rb1+ and two Lu3+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two Lu3+ atoms.},
doi = {10.17188/1270207},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}