skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na7Al3O8 by Materials Project

Abstract

Na7Al3O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are seven inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.01–2.77 Å. In the second Na1+ site, Na1+ is bonded in a distorted L-shaped geometry to two O2- atoms. There are one shorter (2.21 Å) and one longer (2.38 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 1.97–2.73 Å. In the fourth Na1+ site, Na1+ is bonded in a distorted single-bond geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 1.68–2.89 Å. In the fifth Na1+ site, Na1+ is bonded in a single-bond geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.82–2.86 Å. In the sixth Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.99–2.37 Å. In the seventh Na1+ site, Na1+ is bonded in amore » distorted single-bond geometry to two O2- atoms. There are one shorter (1.74 Å) and one longer (2.56 Å) Na–O bond lengths. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.73–2.19 Å. In the second Al3+ site, Al3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Al–O bond distances ranging from 1.29–1.95 Å. In the third Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.63–2.29 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one Al3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Al3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two Na1+ and one Al3+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Al3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and two Al3+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to five Na1+ and one Al3+ atom.« less

Publication Date:
Other Number(s):
mp-556168
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; Na7Al3O8; Al-Na-O
OSTI Identifier:
1269205
DOI:
10.17188/1269205

Citation Formats

The Materials Project. Materials Data on Na7Al3O8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1269205.
The Materials Project. Materials Data on Na7Al3O8 by Materials Project. United States. doi:10.17188/1269205.
The Materials Project. 2019. "Materials Data on Na7Al3O8 by Materials Project". United States. doi:10.17188/1269205. https://www.osti.gov/servlets/purl/1269205. Pub date:Wed Oct 23 00:00:00 EDT 2019
@article{osti_1269205,
title = {Materials Data on Na7Al3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Na7Al3O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are seven inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.01–2.77 Å. In the second Na1+ site, Na1+ is bonded in a distorted L-shaped geometry to two O2- atoms. There are one shorter (2.21 Å) and one longer (2.38 Å) Na–O bond lengths. In the third Na1+ site, Na1+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 1.97–2.73 Å. In the fourth Na1+ site, Na1+ is bonded in a distorted single-bond geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 1.68–2.89 Å. In the fifth Na1+ site, Na1+ is bonded in a single-bond geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.82–2.86 Å. In the sixth Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 1.99–2.37 Å. In the seventh Na1+ site, Na1+ is bonded in a distorted single-bond geometry to two O2- atoms. There are one shorter (1.74 Å) and one longer (2.56 Å) Na–O bond lengths. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.73–2.19 Å. In the second Al3+ site, Al3+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Al–O bond distances ranging from 1.29–1.95 Å. In the third Al3+ site, Al3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.63–2.29 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Na1+ and one Al3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Al3+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one Al3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and two Al3+ atoms. In the fifth O2- site, O2- is bonded in a 5-coordinate geometry to two Na1+ and one Al3+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one Al3+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Na1+ and two Al3+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to five Na1+ and one Al3+ atom.},
doi = {10.17188/1269205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {10}
}

Dataset:

Save / Share: