skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Bi2TeO6 by Materials Project

Abstract

Bi2TeO6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.28–2.46 Å. Te6+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.90 Å) and four longer (2.00 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Bi3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te6+ atoms. In the third O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.

Publication Date:
Other Number(s):
mp-27251
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; Bi2TeO6; Bi-O-Te
OSTI Identifier:
1201449
DOI:
https://doi.org/10.17188/1201449

Citation Formats

The Materials Project. Materials Data on Bi2TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201449.
The Materials Project. Materials Data on Bi2TeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1201449
The Materials Project. 2020. "Materials Data on Bi2TeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1201449. https://www.osti.gov/servlets/purl/1201449. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201449,
title = {Materials Data on Bi2TeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2TeO6 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.28–2.46 Å. Te6+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.90 Å) and four longer (2.00 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Bi3+ and one Te6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te6+ atoms. In the third O2- site, O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra.},
doi = {10.17188/1201449},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}