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Title: Materials Data on Rb2MgCl4 by Materials Project

Abstract

Rb2MgCl4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.32–3.58 Å. Mg2+ is bonded to six Cl1- atoms to form corner-sharing MgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.52 Å) and four longer (2.53 Å) Mg–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Mg2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClRb4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. In the second Cl1- site, Cl1- is bonded to five equivalent Rb1+ and one Mg2+ atom to form distorted ClRb5Mg octahedra that share corners with seventeen ClRb4Mg2 octahedra, edges with eight equivalent ClRb5Mg octahedra, and faces with four equivalent ClRb4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°.

Authors:
Publication Date:
Other Number(s):
mp-1025227
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb2MgCl4; Cl-Mg-Rb
OSTI Identifier:
1355552
DOI:
https://doi.org/10.17188/1355552

Citation Formats

The Materials Project. Materials Data on Rb2MgCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1355552.
The Materials Project. Materials Data on Rb2MgCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1355552
The Materials Project. 2020. "Materials Data on Rb2MgCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1355552. https://www.osti.gov/servlets/purl/1355552. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1355552,
title = {Materials Data on Rb2MgCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2MgCl4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.32–3.58 Å. Mg2+ is bonded to six Cl1- atoms to form corner-sharing MgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.52 Å) and four longer (2.53 Å) Mg–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Mg2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClRb4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°. In the second Cl1- site, Cl1- is bonded to five equivalent Rb1+ and one Mg2+ atom to form distorted ClRb5Mg octahedra that share corners with seventeen ClRb4Mg2 octahedra, edges with eight equivalent ClRb5Mg octahedra, and faces with four equivalent ClRb4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 0–57°.},
doi = {10.17188/1355552},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}