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Title: Materials Data on RbSrCl3 by Materials Project

Abstract

RbSrCl3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.46 Å) and four longer (3.91 Å) Rb–Cl bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.46 Å) and four longer (3.91 Å) Rb–Cl bond lengths. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–34°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–34°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Sr2+ atoms. In the second Cl1- site, Cl1- ismore » bonded to two equivalent Rb1+ and two Sr2+ atoms to form a mixture of distorted edge and corner-sharing ClRb2Sr2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1209111
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; RbSrCl3; Cl-Rb-Sr
OSTI Identifier:
1679784
DOI:
https://doi.org/10.17188/1679784

Citation Formats

The Materials Project. Materials Data on RbSrCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679784.
The Materials Project. Materials Data on RbSrCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1679784
The Materials Project. 2020. "Materials Data on RbSrCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1679784. https://www.osti.gov/servlets/purl/1679784. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679784,
title = {Materials Data on RbSrCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbSrCl3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.46 Å) and four longer (3.91 Å) Rb–Cl bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.46 Å) and four longer (3.91 Å) Rb–Cl bond lengths. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–34°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–34°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Sr2+ atoms. In the second Cl1- site, Cl1- is bonded to two equivalent Rb1+ and two Sr2+ atoms to form a mixture of distorted edge and corner-sharing ClRb2Sr2 tetrahedra.},
doi = {10.17188/1679784},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}