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Title: Materials Data on Al2Si4O11 by Materials Project

Abstract

Al2Si4O11 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Al2Si4O11 sheet oriented in the (0, 0, 1) direction. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with four SiO4 tetrahedra, a cornercorner with one AlO5 trigonal bipyramid, and edges with two equivalent AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.68–1.97 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with two equivalent AlO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with two equivalent AlO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonalmore » planar geometry to two equivalent Al3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms.« less

Publication Date:
Other Number(s):
mp-707135
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; Al2Si4O11; Al-O-Si
OSTI Identifier:
1286328
DOI:
https://doi.org/10.17188/1286328

Citation Formats

The Materials Project. Materials Data on Al2Si4O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286328.
The Materials Project. Materials Data on Al2Si4O11 by Materials Project. United States. doi:https://doi.org/10.17188/1286328
The Materials Project. 2020. "Materials Data on Al2Si4O11 by Materials Project". United States. doi:https://doi.org/10.17188/1286328. https://www.osti.gov/servlets/purl/1286328. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1286328,
title = {Materials Data on Al2Si4O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Al2Si4O11 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Al2Si4O11 sheet oriented in the (0, 0, 1) direction. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with four SiO4 tetrahedra, a cornercorner with one AlO5 trigonal bipyramid, and edges with two equivalent AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.68–1.97 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with two equivalent AlO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three equivalent SiO4 tetrahedra and corners with two equivalent AlO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.63–1.65 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms.},
doi = {10.17188/1286328},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}