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Title: Materials Data on Sr5As3O13 by Materials Project

Abstract

Sr5As3O13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.59–3.04 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.99 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.92 Å. As is bonded in a tetrahedral geometry to four O atoms. All As–O bond lengths are 1.72 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three Sr and one As atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Sr atoms. In the third O site, O is bonded to three Sr and one As atom to form distorted edge-sharing OSr3As tetrahedra. In the fourth O site, O is bonded in a 1-coordinate geometry to three Sr andmore » one As atom. In the fifth O site, O is bonded in a 1-coordinate geometry to three Sr and one As atom.« less

Publication Date:
Other Number(s):
mp-1218606
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; Sr5As3O13; As-O-Sr
OSTI Identifier:
1663991
DOI:
https://doi.org/10.17188/1663991

Citation Formats

The Materials Project. Materials Data on Sr5As3O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663991.
The Materials Project. Materials Data on Sr5As3O13 by Materials Project. United States. doi:https://doi.org/10.17188/1663991
The Materials Project. 2020. "Materials Data on Sr5As3O13 by Materials Project". United States. doi:https://doi.org/10.17188/1663991. https://www.osti.gov/servlets/purl/1663991. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1663991,
title = {Materials Data on Sr5As3O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5As3O13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.59–3.04 Å. In the second Sr site, Sr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.99 Å. In the third Sr site, Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.53–2.92 Å. As is bonded in a tetrahedral geometry to four O atoms. All As–O bond lengths are 1.72 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to three Sr and one As atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Sr atoms. In the third O site, O is bonded to three Sr and one As atom to form distorted edge-sharing OSr3As tetrahedra. In the fourth O site, O is bonded in a 1-coordinate geometry to three Sr and one As atom. In the fifth O site, O is bonded in a 1-coordinate geometry to three Sr and one As atom.},
doi = {10.17188/1663991},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}