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Title: Materials Data on Rb4Sn(Te2O)2 by Materials Project

Abstract

Rb4Sn(Te2O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted water-like geometry to three equivalent Te+0.50- and two equivalent O2- atoms. There are a spread of Rb–Te bond distances ranging from 3.87–4.29 Å. There are one shorter (2.80 Å) and one longer (2.85 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to three equivalent Te+0.50- and one O2- atom. There are a spread of Rb–Te bond distances ranging from 3.63–4.06 Å. The Rb–O bond length is 2.85 Å. Sn2+ is bonded to four Te+0.50- atoms to form SnTe4 tetrahedra that share corners with two equivalent ORb3Te tetrahedra. There are two shorter (2.76 Å) and two longer (2.88 Å) Sn–Te bond lengths. There are two inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a single-bond geometry to one Sn2+ and one O2- atom. The Te–O bond length is 1.94 Å. In the second Te+0.50- site, Te+0.50- is bonded in a 7-coordinate geometry to six Rb1+ and one Sn2+ atom. O2- is bonded to three Rb1+ and one Te+0.50- atommore » to form distorted ORb3Te tetrahedra that share a cornercorner with one SnTe4 tetrahedra and corners with two equivalent ORb3Te tetrahedra.« less

Publication Date:
Other Number(s):
mp-1191418
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; Rb4Sn(Te2O)2; O-Rb-Sn-Te
OSTI Identifier:
1752846
DOI:
https://doi.org/10.17188/1752846

Citation Formats

The Materials Project. Materials Data on Rb4Sn(Te2O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752846.
The Materials Project. Materials Data on Rb4Sn(Te2O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752846
The Materials Project. 2020. "Materials Data on Rb4Sn(Te2O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752846. https://www.osti.gov/servlets/purl/1752846. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1752846,
title = {Materials Data on Rb4Sn(Te2O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4Sn(Te2O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted water-like geometry to three equivalent Te+0.50- and two equivalent O2- atoms. There are a spread of Rb–Te bond distances ranging from 3.87–4.29 Å. There are one shorter (2.80 Å) and one longer (2.85 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to three equivalent Te+0.50- and one O2- atom. There are a spread of Rb–Te bond distances ranging from 3.63–4.06 Å. The Rb–O bond length is 2.85 Å. Sn2+ is bonded to four Te+0.50- atoms to form SnTe4 tetrahedra that share corners with two equivalent ORb3Te tetrahedra. There are two shorter (2.76 Å) and two longer (2.88 Å) Sn–Te bond lengths. There are two inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a single-bond geometry to one Sn2+ and one O2- atom. The Te–O bond length is 1.94 Å. In the second Te+0.50- site, Te+0.50- is bonded in a 7-coordinate geometry to six Rb1+ and one Sn2+ atom. O2- is bonded to three Rb1+ and one Te+0.50- atom to form distorted ORb3Te tetrahedra that share a cornercorner with one SnTe4 tetrahedra and corners with two equivalent ORb3Te tetrahedra.},
doi = {10.17188/1752846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}