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Title: Materials Data on NaSi2W2O5 by Materials Project

Abstract

NaNaSi4(W2O5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four sodium molecules and one NaSi4(W2O5)2 framework. In the NaSi4(W2O5)2 framework, Na1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.54 Å. There are four inequivalent W+4.50+ sites. In the first W+4.50+ site, W+4.50+ is bonded in a bent 150 degrees geometry to two O2- atoms. There are one shorter (2.05 Å) and one longer (2.19 Å) W–O bond lengths. In the second W+4.50+ site, W+4.50+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.17 Å) and one longer (2.30 Å) W–O bond lengths. In the third W+4.50+ site, W+4.50+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.14 Å. In the fourth W+4.50+ site, W+4.50+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.20 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å.more » In the second Si site, Si is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the third Si site, Si is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.65 Å. In the fourth Si site, Si is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one W+4.50+, and one Si atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one W+4.50+, and one Si atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Si atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two Si atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two Si atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two W+4.50+, and one Si atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.50+ and one Si atom.« less

Publication Date:
Other Number(s):
mp-1212767
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; NaSi2W2O5; Na-O-Si-W
OSTI Identifier:
1664106
DOI:
https://doi.org/10.17188/1664106

Citation Formats

The Materials Project. Materials Data on NaSi2W2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664106.
The Materials Project. Materials Data on NaSi2W2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1664106
The Materials Project. 2020. "Materials Data on NaSi2W2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1664106. https://www.osti.gov/servlets/purl/1664106. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1664106,
title = {Materials Data on NaSi2W2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNaSi4(W2O5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four sodium molecules and one NaSi4(W2O5)2 framework. In the NaSi4(W2O5)2 framework, Na1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.54 Å. There are four inequivalent W+4.50+ sites. In the first W+4.50+ site, W+4.50+ is bonded in a bent 150 degrees geometry to two O2- atoms. There are one shorter (2.05 Å) and one longer (2.19 Å) W–O bond lengths. In the second W+4.50+ site, W+4.50+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.17 Å) and one longer (2.30 Å) W–O bond lengths. In the third W+4.50+ site, W+4.50+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.14 Å. In the fourth W+4.50+ site, W+4.50+ is bonded in a single-bond geometry to one O2- atom. The W–O bond length is 2.20 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.65 Å. In the second Si site, Si is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the third Si site, Si is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.65 Å. In the fourth Si site, Si is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one W+4.50+, and one Si atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one W+4.50+, and one Si atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Si atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two Si atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si atoms. In the sixth O2- site, O2- is bonded in a linear geometry to two Si atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two W+4.50+, and one Si atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two W+4.50+ and one Si atom.},
doi = {10.17188/1664106},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}