U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuSnO6 by Materials Project
Abstract
CuSnO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cu sites. In the first Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Cu–O bond distances ranging from 1.80–2.23 Å. In the second Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Cu–O bond distances ranging from 1.80–2.24 Å. In the third Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Cu–O bond distances ranging from 1.81–2.24 Å. In the fourth Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–63°. There are a spread of Cu–O bond distances ranging from 1.81–2.23 Å. There are four inequivalent Sn sites. In the first Snmore »
- Publication Date:
- Other Number(s):
- mp-1181801
- 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-Sn; CuSnO6; crystal structure
- OSTI Identifier:
- 1686569
- DOI:
- https://doi.org/10.17188/1686569
Citation Formats
Materials Data on CuSnO6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1686569.
Materials Data on CuSnO6 by Materials Project. United States. doi:https://doi.org/10.17188/1686569
2019.
"Materials Data on CuSnO6 by Materials Project". United States. doi:https://doi.org/10.17188/1686569. https://www.osti.gov/servlets/purl/1686569. Pub date:Thu Jan 10 23:00:00 EST 2019
@article{osti_1686569,
title = {Materials Data on CuSnO6 by Materials Project},
abstractNote = {CuSnO6 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Cu sites. In the first Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Cu–O bond distances ranging from 1.80–2.23 Å. In the second Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Cu–O bond distances ranging from 1.80–2.24 Å. In the third Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–64°. There are a spread of Cu–O bond distances ranging from 1.81–2.24 Å. In the fourth Cu site, Cu is bonded to six O atoms to form CuO6 octahedra that share corners with six SnO6 octahedra. The corner-sharing octahedra tilt angles range from 49–63°. There are a spread of Cu–O bond distances ranging from 1.81–2.23 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six CuO6 octahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Sn–O bond distances ranging from 1.95–2.31 Å. In the second Sn site, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six CuO6 octahedra. The corner-sharing octahedra tilt angles range from 49–64°. There are a spread of Sn–O bond distances ranging from 1.95–2.30 Å. In the third Sn site, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six CuO6 octahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Sn–O bond distances ranging from 1.95–2.29 Å. In the fourth Sn site, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six CuO6 octahedra. The corner-sharing octahedra tilt angles range from 48–63°. There are a spread of Sn–O bond distances ranging from 1.95–2.29 Å. There are twenty-four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. The O–O bond length is 1.37 Å. In the second O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. The O–O bond length is 1.39 Å. In the third O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. The O–O bond length is 1.37 Å. In the fourth O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. The O–O bond length is 1.38 Å. In the fifth O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. In the sixth O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. In the seventh O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. In the eighth O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. In the ninth O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. The O–O bond length is 1.40 Å. In the tenth O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. The O–O bond length is 1.40 Å. In the eleventh O site, O is bonded in a distorted trigonal planar geometry to one Cu, one Sn, and one O atom. The O–O bond length is 1.39 Å. In the twelfth O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. The O–O bond length is 1.40 Å. In the thirteenth O site, O is bonded in a distorted trigonal planar geometry to one Cu, one Sn, and one O atom. In the fourteenth O site, O is bonded in a distorted trigonal planar geometry to one Cu, one Sn, and one O atom. In the fifteenth O site, O is bonded in a distorted trigonal planar geometry to one Cu, one Sn, and one O atom. In the sixteenth O site, O is bonded in a trigonal planar geometry to one Cu, one Sn, and one O atom. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to one Cu and one Sn atom. In the eighteenth O site, O is bonded in a bent 120 degrees geometry to one Cu and one Sn atom. In the nineteenth O site, O is bonded in a bent 120 degrees geometry to one Cu and one Sn atom. In the twentieth O site, O is bonded in a bent 120 degrees geometry to one Cu and one Sn atom. In the twenty-first O site, O is bonded in a bent 120 degrees geometry to one Cu and one Sn atom. In the twenty-second O site, O is bonded in a bent 120 degrees geometry to one Cu and one Sn atom. In the twenty-third O site, O is bonded in a bent 120 degrees geometry to one Cu and one Sn atom. In the twenty-fourth O site, O is bonded in a bent 120 degrees geometry to one Cu and one Sn atom.},
doi = {10.17188/1686569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.