skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CdTeO3 by Materials Project

Abstract

CdTeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.23–2.55 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form distorted corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 72°. There are a spread of Cd–O bond distances ranging from 2.32–2.42 Å. 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 1.90–2.81 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.78 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Cd2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cd2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in amore » 3-coordinate geometry to two Cd2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Cd2+ and one Te4+ atom. In the sixth O2- site, O2- is bonded to three Cd2+ and one Te4+ atom to form distorted corner-sharing OCd3Te tetrahedra.« 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:
1202419
Report Number(s):
mp-28290
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; CdTeO3; Cd-O-Te

Citation Formats

The Materials Project. Materials Data on CdTeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202419.
The Materials Project. Materials Data on CdTeO3 by Materials Project. United States. https://doi.org/10.17188/1202419
The Materials Project. 2020. "Materials Data on CdTeO3 by Materials Project". United States. https://doi.org/10.17188/1202419. https://www.osti.gov/servlets/purl/1202419.
@article{osti_1202419,
title = {Materials Data on CdTeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CdTeO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cd–O bond distances ranging from 2.23–2.55 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form distorted corner-sharing CdO6 octahedra. The corner-sharing octahedral tilt angles are 72°. There are a spread of Cd–O bond distances ranging from 2.32–2.42 Å. 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 1.90–2.81 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–2.78 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Cd2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cd2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Cd2+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Cd2+ and one Te4+ atom. In the sixth O2- site, O2- is bonded to three Cd2+ and one Te4+ atom to form distorted corner-sharing OCd3Te tetrahedra.},
doi = {10.17188/1202419},
url = {https://www.osti.gov/biblio/1202419}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}