U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CoCu2TeO6 by Materials Project
Abstract
CoCu2TeO6 is Hausmannite-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with two equivalent TeO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–62°. There are a spread of Co–O bond distances ranging from 2.03–2.25 Å. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with two equivalent TeO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are a spread of Co–O bond distances ranging from 2.03–2.30 Å. There are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.43 Å. In the second Cu2+ site, Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.39 Å.more »
- Publication Date:
- Other Number(s):
- mp-1226159
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Co-Cu-O-Te; CoCu2TeO6; crystal structure
- OSTI Identifier:
- 1724020
- DOI:
- https://doi.org/10.17188/1724020
Citation Formats
Materials Data on CoCu2TeO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1724020.
Materials Data on CoCu2TeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1724020
2020.
"Materials Data on CoCu2TeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1724020. https://www.osti.gov/servlets/purl/1724020. Pub date:Thu Jun 04 04:00:00 UTC 2020
@article{osti_1724020,
title = {Materials Data on CoCu2TeO6 by Materials Project},
abstractNote = {CoCu2TeO6 is Hausmannite-derived structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with two equivalent TeO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 42–62°. There are a spread of Co–O bond distances ranging from 2.03–2.25 Å. In the second Co4+ site, Co4+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with two equivalent TeO6 octahedra, and edges with two equivalent TeO6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are a spread of Co–O bond distances ranging from 2.03–2.30 Å. There are four inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.43 Å. In the second Cu2+ site, Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.94–2.39 Å. In the third Cu2+ site, Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.38 Å. In the fourth Cu2+ site, Cu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.93–2.43 Å. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with two CoO6 octahedra and edges with two CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Te–O bond distances ranging from 1.95–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Co4+, two Cu2+, and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Cu2+ and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Co4+, two Cu2+, and one Te4+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Co4+, two Cu2+, and one Te4+ atom. In the fifth O2- site, O2- is bonded to two Co4+, one Cu2+, and one Te4+ atom to form distorted corner-sharing OCo2CuTe tetrahedra. In the sixth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Co4+, two Cu2+, and one Te4+ atom.},
doi = {10.17188/1724020},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}