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Title: 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 » 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.« less

Publication Date:
Other Number(s):
mp-1181801
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CuSnO6; Cu-O-Sn
OSTI Identifier:
1686569
DOI:
https://doi.org/10.17188/1686569

Citation Formats

The Materials Project. Materials Data on CuSnO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1686569.
The Materials Project. Materials Data on CuSnO6 by Materials Project. United States. doi:https://doi.org/10.17188/1686569
The Materials Project. 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:Fri Jan 11 00:00:00 EST 2019
@article{osti_1686569,
title = {Materials Data on CuSnO6 by Materials Project},
author = {The 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}
}