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Title: Materials Data on RbHfAgTe3 by Materials Project

Abstract

RbHfAgTe3 crystallizes in the monoclinic P2_1/m 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 3.70–4.31 Å. Hf4+ is bonded to six Te2- atoms to form edge-sharing HfTe6 octahedra. There are a spread of Hf–Te bond distances ranging from 2.83–2.99 Å. Ag1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.79–2.95 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Rb1+, one Hf4+, and three equivalent Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, two equivalent Hf4+, and one Ag1+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Hf4+ atoms.

Publication Date:
Other Number(s):
mp-9780
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; RbHfAgTe3; Ag-Hf-Rb-Te
OSTI Identifier:
1315809
DOI:
https://doi.org/10.17188/1315809

Citation Formats

The Materials Project. Materials Data on RbHfAgTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315809.
The Materials Project. Materials Data on RbHfAgTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1315809
The Materials Project. 2020. "Materials Data on RbHfAgTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1315809. https://www.osti.gov/servlets/purl/1315809. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1315809,
title = {Materials Data on RbHfAgTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbHfAgTe3 crystallizes in the monoclinic P2_1/m 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 3.70–4.31 Å. Hf4+ is bonded to six Te2- atoms to form edge-sharing HfTe6 octahedra. There are a spread of Hf–Te bond distances ranging from 2.83–2.99 Å. Ag1+ is bonded in a 4-coordinate geometry to two equivalent Ag1+ and four Te2- atoms. Both Ag–Ag bond lengths are 3.01 Å. There are a spread of Ag–Te bond distances ranging from 2.79–2.95 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to three equivalent Rb1+, one Hf4+, and three equivalent Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, two equivalent Hf4+, and one Ag1+ atom. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three equivalent Hf4+ atoms.},
doi = {10.17188/1315809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}