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Title: Materials Data on Na4Ga3Si3IO12 by Materials Project

Abstract

Na4Ga3Si3O12I crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one I1- atom to form distorted NaIO3 tetrahedra that share corners with three equivalent NaIO3 tetrahedra, corners with three equivalent GaO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.33 Å. The Na–I bond length is 3.08 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent NaIO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Ga–O bond lengths are 1.84 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaIO3 tetrahedra and corners with four equivalent GaO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ga3+, and one Si4+ atom. I1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-40226
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; Na4Ga3Si3IO12; Ga-I-Na-O-Si
OSTI Identifier:
1207772
DOI:
10.17188/1207772

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na4Ga3Si3IO12 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1207772.
Persson, Kristin, & Project, Materials. Materials Data on Na4Ga3Si3IO12 by Materials Project. United States. doi:10.17188/1207772.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Na4Ga3Si3IO12 by Materials Project". United States. doi:10.17188/1207772. https://www.osti.gov/servlets/purl/1207772. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1207772,
title = {Materials Data on Na4Ga3Si3IO12 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na4Ga3Si3O12I crystallizes in the cubic P-43n space group. The structure is three-dimensional. Na1+ is bonded to three equivalent O2- and one I1- atom to form distorted NaIO3 tetrahedra that share corners with three equivalent NaIO3 tetrahedra, corners with three equivalent GaO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Na–O bond lengths are 2.33 Å. The Na–I bond length is 3.08 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent NaIO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Ga–O bond lengths are 1.84 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent NaIO3 tetrahedra and corners with four equivalent GaO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Ga3+, and one Si4+ atom. I1- is bonded in a tetrahedral geometry to four equivalent Na1+ atoms.},
doi = {10.17188/1207772},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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