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Title: Materials Data on RbHgSbTe3 by Materials Project

Abstract

RbHgSbTe3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.76–4.09 Å. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with two equivalent HgTe4 tetrahedra and edges with four equivalent SbTe6 octahedra. There are a spread of Hg–Te bond distances ranging from 2.82–2.96 Å. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent SbTe6 octahedra, edges with two equivalent SbTe6 octahedra, and edges with four equivalent HgTe4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sb–Te bond distances ranging from 2.91–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and two equivalent Sb3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1219595
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; RbHgSbTe3; Hg-Rb-Sb-Te
OSTI Identifier:
1695380
DOI:
https://doi.org/10.17188/1695380

Citation Formats

The Materials Project. Materials Data on RbHgSbTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1695380.
The Materials Project. Materials Data on RbHgSbTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1695380
The Materials Project. 2020. "Materials Data on RbHgSbTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1695380. https://www.osti.gov/servlets/purl/1695380. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1695380,
title = {Materials Data on RbHgSbTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbHgSbTe3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.76–4.09 Å. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with two equivalent HgTe4 tetrahedra and edges with four equivalent SbTe6 octahedra. There are a spread of Hg–Te bond distances ranging from 2.82–2.96 Å. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent SbTe6 octahedra, edges with two equivalent SbTe6 octahedra, and edges with four equivalent HgTe4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sb–Te bond distances ranging from 2.91–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and two equivalent Sb3+ atoms.},
doi = {10.17188/1695380},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}