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Title: Materials Data on Rb2Cd3Te4 by Materials Project

Abstract

Rb2Cd3Te4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.78–4.12 Å. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.78–4.22 Å. In the third Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.87–4.07 Å. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.83–3.03 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.79–3.01 Å. In the third Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing CdTe4more » tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.82–2.99 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four Rb1+ and four Cd2+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Cd2+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms. In the fifth Te2- site, Te2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms.« less

Publication Date:
Other Number(s):
mp-29901
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; Rb2Cd3Te4; Cd-Rb-Te
OSTI Identifier:
1204331
DOI:
https://doi.org/10.17188/1204331

Citation Formats

The Materials Project. Materials Data on Rb2Cd3Te4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204331.
The Materials Project. Materials Data on Rb2Cd3Te4 by Materials Project. United States. doi:https://doi.org/10.17188/1204331
The Materials Project. 2020. "Materials Data on Rb2Cd3Te4 by Materials Project". United States. doi:https://doi.org/10.17188/1204331. https://www.osti.gov/servlets/purl/1204331. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204331,
title = {Materials Data on Rb2Cd3Te4 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Cd3Te4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.78–4.12 Å. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.78–4.22 Å. In the third Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.87–4.07 Å. There are three inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.83–3.03 Å. In the second Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.79–3.01 Å. In the third Cd2+ site, Cd2+ is bonded to four Te2- atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are a spread of Cd–Te bond distances ranging from 2.82–2.99 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four Rb1+ and four Cd2+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Cd2+ atoms. In the fourth Te2- site, Te2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms. In the fifth Te2- site, Te2- is bonded in a 7-coordinate geometry to four Rb1+ and three Cd2+ atoms.},
doi = {10.17188/1204331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}