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Title: Materials Data on RbHgSbSe3 by Materials Project

Abstract

RbHgSbSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.57–3.99 Å. Hg2+ is bonded to four Se2- atoms to form corner-sharing HgSe4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.84 Å) Hg–Se bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.64 Å) and one longer (2.66 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Hg2+, and one Sb3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Hg2+, and one Sb3+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and one Sb3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6300
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; RbHgSbSe3; Hg-Rb-Sb-Se
OSTI Identifier:
1278973
DOI:
10.17188/1278973

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbHgSbSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278973.
Persson, Kristin, & Project, Materials. Materials Data on RbHgSbSe3 by Materials Project. United States. doi:10.17188/1278973.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbHgSbSe3 by Materials Project". United States. doi:10.17188/1278973. https://www.osti.gov/servlets/purl/1278973. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1278973,
title = {Materials Data on RbHgSbSe3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbHgSbSe3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.57–3.99 Å. Hg2+ is bonded to four Se2- atoms to form corner-sharing HgSe4 tetrahedra. There are two shorter (2.67 Å) and two longer (2.84 Å) Hg–Se bond lengths. Sb3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.64 Å) and one longer (2.66 Å) Sb–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Hg2+, and one Sb3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Hg2+, and one Sb3+ atom. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and one Sb3+ atom.},
doi = {10.17188/1278973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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