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Title: Materials Data on Cu(TeO3)4 by Materials Project

Abstract

Cu(TeO3)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cu2+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.54 Å. There are four inequivalent Te+5.50+ sites. In the first Te+5.50+ site, Te+5.50+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 32–40°. There are a spread of Te–O bond distances ranging from 1.95–2.05 Å. In the second Te+5.50+ site, Te+5.50+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 35–42°. There are a spread of Te–O bond distances ranging from 1.94–2.06 Å. In the third Te+5.50+ site, Te+5.50+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 32–42°. There are a spread of Te–O bond distances ranging from 1.96–2.03 Å. In the fourth Te+5.50+ site, Te+5.50+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 33–41°. There are a spread of Te–O bond distances ranging from 1.94–2.05 Å. There are twelve inequivalent O2- sites. In the first O2- site,more » O2- is bonded in a 3-coordinate geometry to one Cu2+ and two Te+5.50+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Te+5.50+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Te+5.50+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Te+5.50+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cu2+ and two Te+5.50+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the eleventh O2- site, O2- is bonded in a distorted T-shaped geometry to one Cu2+ and two Te+5.50+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-756573
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cu(TeO3)4; Cu-O-Te
OSTI Identifier:
1290560
DOI:
https://doi.org/10.17188/1290560

Citation Formats

The Materials Project. Materials Data on Cu(TeO3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290560.
The Materials Project. Materials Data on Cu(TeO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1290560
The Materials Project. 2020. "Materials Data on Cu(TeO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1290560. https://www.osti.gov/servlets/purl/1290560. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290560,
title = {Materials Data on Cu(TeO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu(TeO3)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cu2+ is bonded in a 3-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.54 Å. There are four inequivalent Te+5.50+ sites. In the first Te+5.50+ site, Te+5.50+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 32–40°. There are a spread of Te–O bond distances ranging from 1.95–2.05 Å. In the second Te+5.50+ site, Te+5.50+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 35–42°. There are a spread of Te–O bond distances ranging from 1.94–2.06 Å. In the third Te+5.50+ site, Te+5.50+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 32–42°. There are a spread of Te–O bond distances ranging from 1.96–2.03 Å. In the fourth Te+5.50+ site, Te+5.50+ is bonded to six O2- atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedra tilt angles range from 33–41°. There are a spread of Te–O bond distances ranging from 1.94–2.05 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cu2+ and two Te+5.50+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Te+5.50+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Te+5.50+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two Te+5.50+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Cu2+ and two Te+5.50+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms. In the eleventh O2- site, O2- is bonded in a distorted T-shaped geometry to one Cu2+ and two Te+5.50+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two Te+5.50+ atoms.},
doi = {10.17188/1290560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}