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Title: Materials Data on Rb2ZrTe3 by Materials Project

Abstract

Rb2ZrTe3 is Modderite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.64–4.08 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.56–3.96 Å. Zr4+ is bonded to six Te2- atoms to form face-sharing ZrTe6 octahedra. There are a spread of Zr–Te bond distances ranging from 2.86–3.05 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-29603
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; Rb2ZrTe3; Rb-Te-Zr
OSTI Identifier:
1204051
DOI:
https://doi.org/10.17188/1204051

Citation Formats

The Materials Project. Materials Data on Rb2ZrTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204051.
The Materials Project. Materials Data on Rb2ZrTe3 by Materials Project. United States. doi:https://doi.org/10.17188/1204051
The Materials Project. 2020. "Materials Data on Rb2ZrTe3 by Materials Project". United States. doi:https://doi.org/10.17188/1204051. https://www.osti.gov/servlets/purl/1204051. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1204051,
title = {Materials Data on Rb2ZrTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2ZrTe3 is Modderite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.64–4.08 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.56–3.96 Å. Zr4+ is bonded to six Te2- atoms to form face-sharing ZrTe6 octahedra. There are a spread of Zr–Te bond distances ranging from 2.86–3.05 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Zr4+ atoms.},
doi = {10.17188/1204051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}