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Title: Materials Data on RbCu4Se3 by Materials Project

Abstract

RbCu4Se3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Rb–Se bond lengths are 3.58 Å. Cu+1.25+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.55 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.25+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Cu+1.25+ atoms.

Publication Date:
Other Number(s):
mp-1078762
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; RbCu4Se3; Cu-Rb-Se
OSTI Identifier:
1681407
DOI:
https://doi.org/10.17188/1681407

Citation Formats

The Materials Project. Materials Data on RbCu4Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681407.
The Materials Project. Materials Data on RbCu4Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1681407
The Materials Project. 2020. "Materials Data on RbCu4Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1681407. https://www.osti.gov/servlets/purl/1681407. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1681407,
title = {Materials Data on RbCu4Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCu4Se3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Rb–Se bond lengths are 3.58 Å. Cu+1.25+ is bonded to four Se2- atoms to form a mixture of corner and edge-sharing CuSe4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.55 Å) Cu–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.25+ atoms. In the second Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Cu+1.25+ atoms.},
doi = {10.17188/1681407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}