U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- 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 = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}