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Title: Materials Data on RbCuCl3 by Materials Project

Abstract

RbCuCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with six equivalent CuCl6 octahedra, faces with eight equivalent RbCl12 cuboctahedra, and faces with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are six shorter (3.53 Å) and six longer (3.67 Å) Rb–Cl bond lengths. Cu2+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent CuCl6 octahedra. All Cu–Cl bond lengths are 2.45 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Cu2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-569526
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; RbCuCl3; Cl-Cu-Rb
OSTI Identifier:
1275142
DOI:
https://doi.org/10.17188/1275142

Citation Formats

The Materials Project. Materials Data on RbCuCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275142.
The Materials Project. Materials Data on RbCuCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1275142
The Materials Project. 2020. "Materials Data on RbCuCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1275142. https://www.osti.gov/servlets/purl/1275142. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275142,
title = {Materials Data on RbCuCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCuCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with six equivalent RbCl12 cuboctahedra, corners with six equivalent CuCl6 octahedra, faces with eight equivalent RbCl12 cuboctahedra, and faces with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are six shorter (3.53 Å) and six longer (3.67 Å) Rb–Cl bond lengths. Cu2+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with two equivalent CuCl6 octahedra. All Cu–Cl bond lengths are 2.45 Å. Cl1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Cu2+ atoms.},
doi = {10.17188/1275142},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}