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Title: Materials Data on Na10Be4Si4O17 by Materials Project

Abstract

Na10Be4Si4O17 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.30 Å) and three longer (2.64 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.60 Å. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.49 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with three equivalent BeO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. There is three shorter (1.65 Å) and one longer (1.69 Å) Be–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent BeO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Be2+ atoms. In the second O2- site,more » O2- is bonded in a 2-coordinate geometry to four Na1+, one Be2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-555606
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; Na10Be4Si4O17; Be-Na-O-Si
OSTI Identifier:
1268902
DOI:
10.17188/1268902

Citation Formats

The Materials Project. Materials Data on Na10Be4Si4O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268902.
The Materials Project. Materials Data on Na10Be4Si4O17 by Materials Project. United States. doi:10.17188/1268902.
The Materials Project. 2020. "Materials Data on Na10Be4Si4O17 by Materials Project". United States. doi:10.17188/1268902. https://www.osti.gov/servlets/purl/1268902. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1268902,
title = {Materials Data on Na10Be4Si4O17 by Materials Project},
author = {The Materials Project},
abstractNote = {Na10Be4Si4O17 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.30 Å) and three longer (2.64 Å) Na–O bond lengths. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.60 Å. In the third Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.49 Å. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with three equivalent BeO4 tetrahedra and corners with three equivalent SiO4 tetrahedra. There is three shorter (1.65 Å) and one longer (1.69 Å) Be–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent BeO4 tetrahedra. There is one shorter (1.61 Å) and three longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Be2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Na1+, one Be2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one Si4+ atom.},
doi = {10.17188/1268902},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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