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Title: Materials Data on Te3SeO8 by Materials Project

Abstract

Te3SeO8 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Te3SeO8 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.50 Å. In the second Te6+ site, Te6+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.21 Å. In the third Te6+ site, Te6+ is bonded in a square pyramidal geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.27 Å. Se2- is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.76 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Te6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te6+ and one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry tomore » one Se2- atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Te6+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Te6+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te6+ and one Se2- atom.« less

Publication Date:
Other Number(s):
mp-29320
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; Te3SeO8; O-Se-Te
OSTI Identifier:
1203684
DOI:
https://doi.org/10.17188/1203684

Citation Formats

The Materials Project. Materials Data on Te3SeO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203684.
The Materials Project. Materials Data on Te3SeO8 by Materials Project. United States. doi:https://doi.org/10.17188/1203684
The Materials Project. 2020. "Materials Data on Te3SeO8 by Materials Project". United States. doi:https://doi.org/10.17188/1203684. https://www.osti.gov/servlets/purl/1203684. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203684,
title = {Materials Data on Te3SeO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Te3SeO8 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Te3SeO8 sheet oriented in the (0, 0, 1) direction. there are three inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a 5-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.50 Å. In the second Te6+ site, Te6+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.21 Å. In the third Te6+ site, Te6+ is bonded in a square pyramidal geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.27 Å. Se2- is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.76 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Te6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te6+ and one Se2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Se2- atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Te6+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Te6+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te6+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Te6+ and one Se2- atom.},
doi = {10.17188/1203684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}