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Title: Materials Data on Al3(SiO5)2 by Materials Project

Abstract

Al3(SiO5)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five SiO4 tetrahedra and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.96 Å. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five SiO4 tetrahedra and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.97 Å. In the third Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with four SiO4 tetrahedra and edges with two AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–1.96 Å. In the fourth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five SiO4 tetrahedra and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.96 Å. In the fifth Al site, Al is bonded to six O atoms to form AlO6 octahedra that sharemore » corners with five SiO4 tetrahedra and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.97 Å. In the sixth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with four SiO4 tetrahedra and edges with two AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.85–1.96 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. In the fourth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are twenty inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two Al and one Si atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the sixth O site, O is bonded in a trigonal planar geometry to two Al and one Si atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Al and one Si atom. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the ninth O site, O is bonded in a water-like geometry to two Al atoms. In the tenth O site, O is bonded in a water-like geometry to two Al atoms. In the eleventh O site, O is bonded in a trigonal planar geometry to two Al and one Si atom. In the twelfth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the thirteenth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Al and one Si atom. In the fifteenth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the sixteenth O site, O is bonded in a trigonal planar geometry to two Al and one Si atom. In the seventeenth O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the eighteenth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the nineteenth O site, O is bonded in a water-like geometry to two Al atoms. In the twentieth O site, O is bonded in a water-like geometry to two Al atoms.« less

Publication Date:
Other Number(s):
mp-1193561
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; Al3(SiO5)2; Al-O-Si
OSTI Identifier:
1719217
DOI:
https://doi.org/10.17188/1719217

Citation Formats

The Materials Project. Materials Data on Al3(SiO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719217.
The Materials Project. Materials Data on Al3(SiO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1719217
The Materials Project. 2020. "Materials Data on Al3(SiO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1719217. https://www.osti.gov/servlets/purl/1719217. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1719217,
title = {Materials Data on Al3(SiO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Al3(SiO5)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five SiO4 tetrahedra and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.96 Å. In the second Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five SiO4 tetrahedra and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.97 Å. In the third Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with four SiO4 tetrahedra and edges with two AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–1.96 Å. In the fourth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five SiO4 tetrahedra and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.96 Å. In the fifth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with five SiO4 tetrahedra and edges with three AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–1.97 Å. In the sixth Al site, Al is bonded to six O atoms to form AlO6 octahedra that share corners with four SiO4 tetrahedra and edges with two AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.85–1.96 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. In the second Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. In the third Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. In the fourth Si site, Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with seven AlO6 octahedra. The corner-sharing octahedra tilt angles range from 43–56°. There are a spread of Si–O bond distances ranging from 1.63–1.67 Å. There are twenty inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two Al and one Si atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the sixth O site, O is bonded in a trigonal planar geometry to two Al and one Si atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Al and one Si atom. In the eighth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the ninth O site, O is bonded in a water-like geometry to two Al atoms. In the tenth O site, O is bonded in a water-like geometry to two Al atoms. In the eleventh O site, O is bonded in a trigonal planar geometry to two Al and one Si atom. In the twelfth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the thirteenth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the fourteenth O site, O is bonded in a distorted bent 150 degrees geometry to one Al and one Si atom. In the fifteenth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the sixteenth O site, O is bonded in a trigonal planar geometry to two Al and one Si atom. In the seventeenth O site, O is bonded in a bent 150 degrees geometry to one Al and one Si atom. In the eighteenth O site, O is bonded in a distorted trigonal planar geometry to two Al and one Si atom. In the nineteenth O site, O is bonded in a water-like geometry to two Al atoms. In the twentieth O site, O is bonded in a water-like geometry to two Al atoms.},
doi = {10.17188/1719217},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}