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Title: Materials Data on Na3Al3Si3O16 by Materials Project

Abstract

Na3Al3Si3O16 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.67 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.77 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted hexagonal planar geometry to three equivalent Na and three equivalent O atoms. All O–O bond lengths are 1.75 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one O atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Si atom. In the fifthmore » O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Si atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Si atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1221304
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na3Al3Si3O16; Al-Na-O-Si
OSTI Identifier:
1744149
DOI:
https://doi.org/10.17188/1744149

Citation Formats

The Materials Project. Materials Data on Na3Al3Si3O16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744149.
The Materials Project. Materials Data on Na3Al3Si3O16 by Materials Project. United States. doi:https://doi.org/10.17188/1744149
The Materials Project. 2020. "Materials Data on Na3Al3Si3O16 by Materials Project". United States. doi:https://doi.org/10.17188/1744149. https://www.osti.gov/servlets/purl/1744149. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1744149,
title = {Materials Data on Na3Al3Si3O16 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Al3Si3O16 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.35–2.67 Å. Al is bonded to four O atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.74–1.77 Å. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted hexagonal planar geometry to three equivalent Na and three equivalent O atoms. All O–O bond lengths are 1.75 Å. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one O atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Si atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Si atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one Na, one Al, and one Si atom.},
doi = {10.17188/1744149},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}