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Title: Materials Data on Na2Cu(SeO5)2 by Materials Project

Abstract

Na2Cu(SeO5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.46–2.65 Å. Cu is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.76 Å) and two longer (1.88 Å) Cu–O bond length. Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.75 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cu and one Se atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Se atom. In the third O site, O is bonded in a water-like geometry to one Na and one Se atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one Se atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one Cu atom.

Publication Date:
Other Number(s):
mp-1104648
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; Na2Cu(SeO5)2; Cu-Na-O-Se
OSTI Identifier:
1677955
DOI:
https://doi.org/10.17188/1677955

Citation Formats

The Materials Project. Materials Data on Na2Cu(SeO5)2 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1677955.
The Materials Project. Materials Data on Na2Cu(SeO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1677955
The Materials Project. 2018. "Materials Data on Na2Cu(SeO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1677955. https://www.osti.gov/servlets/purl/1677955. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1677955,
title = {Materials Data on Na2Cu(SeO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Cu(SeO5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.46–2.65 Å. Cu is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.76 Å) and two longer (1.88 Å) Cu–O bond length. Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.64–1.75 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cu and one Se atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Se atom. In the third O site, O is bonded in a water-like geometry to one Na and one Se atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one Se atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one Cu atom.},
doi = {10.17188/1677955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}