U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuSiO4 by Materials Project
Abstract
CuSiO4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cu is bonded to five O atoms to form CuO5 trigonal bipyramids that share corners with four equivalent SiO4 tetrahedra, corners with two equivalent CuO5 trigonal bipyramids, and an edgeedge with one CuO5 trigonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.92–1.98 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and corners with four equivalent CuO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Cu and one Si atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one Si atom. In the fourth O site, O is bonded in a single-bond geometry to one Cu atom.
- Publication Date:
- Other Number(s):
- mp-1204686
- 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; Cu-O-Si; CuSiO4; crystal structure
- OSTI Identifier:
- 1698689
- DOI:
- https://doi.org/10.17188/1698689
Citation Formats
Materials Data on CuSiO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698689.
Materials Data on CuSiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1698689
2020.
"Materials Data on CuSiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1698689. https://www.osti.gov/servlets/purl/1698689. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1698689,
title = {Materials Data on CuSiO4 by Materials Project},
abstractNote = {CuSiO4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cu is bonded to five O atoms to form CuO5 trigonal bipyramids that share corners with four equivalent SiO4 tetrahedra, corners with two equivalent CuO5 trigonal bipyramids, and an edgeedge with one CuO5 trigonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.92–1.98 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and corners with four equivalent CuO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to two equivalent Cu and one Si atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one Si atom. In the fourth O site, O is bonded in a single-bond geometry to one Cu atom.},
doi = {10.17188/1698689},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}