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Title: Materials Data on Rb2Ti(CuS2)2 by Materials Project

Abstract

Rb2Ti(CuS2)2 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. There are four shorter (3.49 Å) and four longer (3.51 Å) Rb–S bond lengths. Ti4+ is bonded to four equivalent S2- atoms to form TiS4 tetrahedra that share edges with four equivalent CuS4 tetrahedra. All Ti–S bond lengths are 2.29 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and edges with two equivalent TiS4 tetrahedra. All Cu–S bond lengths are 2.37 Å. S2- is bonded in a 7-coordinate geometry to four equivalent Rb1+, one Ti4+, and two equivalent Cu1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7129
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; Rb2Ti(CuS2)2; Cu-Rb-S-Ti
OSTI Identifier:
1286621
DOI:
10.17188/1286621

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2Ti(CuS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286621.
Persson, Kristin, & Project, Materials. Materials Data on Rb2Ti(CuS2)2 by Materials Project. United States. doi:10.17188/1286621.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2Ti(CuS2)2 by Materials Project". United States. doi:10.17188/1286621. https://www.osti.gov/servlets/purl/1286621. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1286621,
title = {Materials Data on Rb2Ti(CuS2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2Ti(CuS2)2 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. There are four shorter (3.49 Å) and four longer (3.51 Å) Rb–S bond lengths. Ti4+ is bonded to four equivalent S2- atoms to form TiS4 tetrahedra that share edges with four equivalent CuS4 tetrahedra. All Ti–S bond lengths are 2.29 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and edges with two equivalent TiS4 tetrahedra. All Cu–S bond lengths are 2.37 Å. S2- is bonded in a 7-coordinate geometry to four equivalent Rb1+, one Ti4+, and two equivalent Cu1+ atoms.},
doi = {10.17188/1286621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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