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Title: Materials Data on RbCu2(SeO5)2 by Materials Project

Abstract

RbCu2(SeO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.19 Å. Cu is bonded to six O atoms to form distorted CuO6 octahedra that share corners with four equivalent SeO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.80–2.55 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 40–56°. There are a spread of Se–O bond distances ranging from 1.64–1.72 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb, two equivalent Cu, and one Se atom. In the second O site, O is bonded in a single-bond geometry to one Rb and one Se atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Rb, one Cu, and one Se atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to twomore » equivalent Cu atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1104573
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; RbCu2(SeO5)2; Cu-O-Rb-Se
OSTI Identifier:
1710005
DOI:
https://doi.org/10.17188/1710005

Citation Formats

The Materials Project. Materials Data on RbCu2(SeO5)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1710005.
The Materials Project. Materials Data on RbCu2(SeO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1710005
The Materials Project. 2019. "Materials Data on RbCu2(SeO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1710005. https://www.osti.gov/servlets/purl/1710005. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1710005,
title = {Materials Data on RbCu2(SeO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCu2(SeO5)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb is bonded in a 12-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.19 Å. Cu is bonded to six O atoms to form distorted CuO6 octahedra that share corners with four equivalent SeO4 tetrahedra and edges with two equivalent CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.80–2.55 Å. Se is bonded to four O atoms to form SeO4 tetrahedra that share corners with four equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 40–56°. There are a spread of Se–O bond distances ranging from 1.64–1.72 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Rb, two equivalent Cu, and one Se atom. In the second O site, O is bonded in a single-bond geometry to one Rb and one Se atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Rb, one Cu, and one Se atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Cu atoms.},
doi = {10.17188/1710005},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}