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Title: Materials Data on Na2Cu5(Si2O7)2 by Materials Project

Abstract

Na2Cu5(Si2O7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to one Cu2+ and three O2- atoms. The Na–Cu bond length is 2.54 Å. There are a spread of Na–O bond distances ranging from 2.04–2.26 Å. There are three inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–2.45 Å. In the second Cu2+ site, Cu2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (1.86 Å) and two longer (2.33 Å) Cu–O bond lengths. In the third Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to one Na1+ and four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.41 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.22–2.07 Å. In the second Si4+ site, Si4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Si–O bond distances ranging frommore » 1.15–2.27 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cu2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Cu2+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Cu2+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Cu2+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Cu2+ and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-573024
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; Na2Cu5(Si2O7)2; Cu-Na-O-Si
OSTI Identifier:
1276456
DOI:
10.17188/1276456

Citation Formats

The Materials Project. Materials Data on Na2Cu5(Si2O7)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1276456.
The Materials Project. Materials Data on Na2Cu5(Si2O7)2 by Materials Project. United States. doi:10.17188/1276456.
The Materials Project. 2019. "Materials Data on Na2Cu5(Si2O7)2 by Materials Project". United States. doi:10.17188/1276456. https://www.osti.gov/servlets/purl/1276456. Pub date:Tue Oct 22 00:00:00 EDT 2019
@article{osti_1276456,
title = {Materials Data on Na2Cu5(Si2O7)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Cu5(Si2O7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to one Cu2+ and three O2- atoms. The Na–Cu bond length is 2.54 Å. There are a spread of Na–O bond distances ranging from 2.04–2.26 Å. There are three inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–2.45 Å. In the second Cu2+ site, Cu2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (1.86 Å) and two longer (2.33 Å) Cu–O bond lengths. In the third Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to one Na1+ and four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.41 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.22–2.07 Å. In the second Si4+ site, Si4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Si–O bond distances ranging from 1.15–2.27 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cu2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Cu2+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two Cu2+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Cu2+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Cu2+ and one Si4+ atom.},
doi = {10.17188/1276456},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}

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