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Title: Materials Data on TeSeO4 by Materials Project

Abstract

TeSeO4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one TeSeO4 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 2.09–2.74 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 2.05–2.93 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–2.44 Å. In the second Se4+ site, Se4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.56–2.51 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ and one O2- atom. The O–O bond length is 2.75 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Te4+more » and one Se4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Se4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Te4+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Te4+, one Se4+, and one O2- atom. The O–O bond length is 2.56 Å. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Te4+, two Se4+, and three O2- atoms. The O–O bond length is 2.34 Å. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Te4+, one Se4+, and one O2- atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1203664
Report Number(s):
mp-29299
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; TeSeO4; O-Se-Te

Citation Formats

The Materials Project. Materials Data on TeSeO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203664.
The Materials Project. Materials Data on TeSeO4 by Materials Project. United States. https://doi.org/10.17188/1203664
The Materials Project. Sat . "Materials Data on TeSeO4 by Materials Project". United States. https://doi.org/10.17188/1203664. https://www.osti.gov/servlets/purl/1203664.
@article{osti_1203664,
title = {Materials Data on TeSeO4 by Materials Project},
author = {The Materials Project},
abstractNote = {TeSeO4 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one TeSeO4 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 2.09–2.74 Å. In the second Te4+ site, Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 2.05–2.93 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–2.44 Å. In the second Se4+ site, Se4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.56–2.51 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ and one O2- atom. The O–O bond length is 2.75 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Te4+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Se4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Te4+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Te4+, one Se4+, and one O2- atom. The O–O bond length is 2.56 Å. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Te4+, two Se4+, and three O2- atoms. The O–O bond length is 2.34 Å. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Te4+, one Se4+, and one O2- atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom.},
doi = {10.17188/1203664},
url = {https://www.osti.gov/biblio/1203664}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}