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Title: Materials Data on Si3Sb2O9 by Materials Project

Abstract

Si3Sb2O9 crystallizes in the hexagonal P6_3/m space group. The structure is two-dimensional and consists of two Si3Sb2O9 sheets oriented in the (0, 0, 1) direction. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.65 Å) Si–O bond length. Sb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Si4+ and one Sb3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-769028
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; Si3Sb2O9; O-Sb-Si
OSTI Identifier:
1298616
DOI:
10.17188/1298616

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Si3Sb2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298616.
Persson, Kristin, & Project, Materials. Materials Data on Si3Sb2O9 by Materials Project. United States. doi:10.17188/1298616.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Si3Sb2O9 by Materials Project". United States. doi:10.17188/1298616. https://www.osti.gov/servlets/purl/1298616. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1298616,
title = {Materials Data on Si3Sb2O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Si3Sb2O9 crystallizes in the hexagonal P6_3/m space group. The structure is two-dimensional and consists of two Si3Sb2O9 sheets oriented in the (0, 0, 1) direction. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.63 Å) and two longer (1.65 Å) Si–O bond length. Sb3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Si4+ and one Sb3+ atom.},
doi = {10.17188/1298616},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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