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Title: Materials Data on RbTh3F13 by Materials Project

Abstract

RbTh3F13 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.43 Å. There are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.34–2.51 Å. In the second Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.31–2.51 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Th4+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Th4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two Th4+ atoms. In the fifth F1- site, F1- is bonded in amore » distorted trigonal non-coplanar geometry to three Th4+ atoms. In the sixth F1- site, F1- is bonded in a distorted linear geometry to two equivalent Th4+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent Th4+ atoms. In the eighth F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Th4+ atoms to form distorted corner-sharing FRb2Th2 tetrahedra. In the ninth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Th4+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-555463
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; RbTh3F13; F-Rb-Th
OSTI Identifier:
1268815
DOI:
10.17188/1268815

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbTh3F13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268815.
Persson, Kristin, & Project, Materials. Materials Data on RbTh3F13 by Materials Project. United States. doi:10.17188/1268815.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbTh3F13 by Materials Project". United States. doi:10.17188/1268815. https://www.osti.gov/servlets/purl/1268815. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1268815,
title = {Materials Data on RbTh3F13 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbTh3F13 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.43 Å. There are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.34–2.51 Å. In the second Th4+ site, Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.31–2.51 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Th4+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Th4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two Th4+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Th4+ atoms. In the sixth F1- site, F1- is bonded in a distorted linear geometry to two equivalent Th4+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent Th4+ atoms. In the eighth F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent Th4+ atoms to form distorted corner-sharing FRb2Th2 tetrahedra. In the ninth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Th4+ atoms.},
doi = {10.17188/1268815},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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