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Title: Materials Data on Si5O8 by Materials Project

Abstract

Si5O8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Si sites. In the first Si site, Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.63–1.69 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.65 Å. In the third Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.64 Å) and two longer (1.66 Å) Si–O bond length. In the fourth Si site, Si is bonded in a water-like geometry to two O atoms. There is one shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. In the fifth Si site, Si is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.63 Å) and two longer (1.70 Å) Si–O bond length. In the sixth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the seventhmore » Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. In the eighth Si site, Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. In the ninth Si site, Si is bonded in a water-like geometry to two O atoms. There is one shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. In the tenth Si site, Si is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.63–1.71 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to two Si atoms. In the second O site, O is bonded in a linear geometry to two Si atoms. In the third O site, O is bonded in an L-shaped geometry to two Si atoms. In the fourth O site, O is bonded in a linear geometry to two Si atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the seventh O site, O is bonded in an L-shaped geometry to two Si atoms. In the eighth O site, O is bonded in an L-shaped geometry to two Si atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two Si atoms. In the eleventh O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the twelfth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1179651
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; Si5O8; O-Si
OSTI Identifier:
1708593
DOI:
https://doi.org/10.17188/1708593

Citation Formats

The Materials Project. Materials Data on Si5O8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1708593.
The Materials Project. Materials Data on Si5O8 by Materials Project. United States. doi:https://doi.org/10.17188/1708593
The Materials Project. 2019. "Materials Data on Si5O8 by Materials Project". United States. doi:https://doi.org/10.17188/1708593. https://www.osti.gov/servlets/purl/1708593. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1708593,
title = {Materials Data on Si5O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Si5O8 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are ten inequivalent Si sites. In the first Si site, Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.63–1.69 Å. In the second Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.61–1.65 Å. In the third Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.64 Å) and two longer (1.66 Å) Si–O bond length. In the fourth Si site, Si is bonded in a water-like geometry to two O atoms. There is one shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. In the fifth Si site, Si is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is one shorter (1.63 Å) and two longer (1.70 Å) Si–O bond length. In the sixth Si site, Si is bonded to four O atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the seventh Si site, Si is bonded in a trigonal non-coplanar geometry to three O atoms. There is one shorter (1.65 Å) and two longer (1.66 Å) Si–O bond length. In the eighth Si site, Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. In the ninth Si site, Si is bonded in a water-like geometry to two O atoms. There is one shorter (1.65 Å) and one longer (1.66 Å) Si–O bond length. In the tenth Si site, Si is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There are a spread of Si–O bond distances ranging from 1.63–1.71 Å. There are sixteen inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to two Si atoms. In the second O site, O is bonded in a linear geometry to two Si atoms. In the third O site, O is bonded in an L-shaped geometry to two Si atoms. In the fourth O site, O is bonded in a linear geometry to two Si atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to two Si atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the seventh O site, O is bonded in an L-shaped geometry to two Si atoms. In the eighth O site, O is bonded in an L-shaped geometry to two Si atoms. In the ninth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two Si atoms. In the eleventh O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the twelfth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the thirteenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fourteenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the fifteenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms. In the sixteenth O site, O is bonded in a bent 150 degrees geometry to two Si atoms.},
doi = {10.17188/1708593},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}