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Title: Materials Data on Sr5P3O14 by Materials Project

Abstract

Sr5P3O14 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two 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 2.59–2.94 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.83 Å. P is bonded in a tetrahedral geometry to four O atoms. All P–O bond lengths are 1.56 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Sr and one O atom to form face-sharing OSr3O tetrahedra. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a distorted single-bond geometry to three Sr and one P atom. In the third O site, O is bonded in a 1-coordinate geometry to three Sr and one P atom. In the fourth O site, O is bonded in a 4-coordinate geometry to three Sr and one P atom.

Publication Date:
Other Number(s):
mp-1208724
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; Sr5P3O14; O-P-Sr
OSTI Identifier:
1707212
DOI:
https://doi.org/10.17188/1707212

Citation Formats

The Materials Project. Materials Data on Sr5P3O14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707212.
The Materials Project. Materials Data on Sr5P3O14 by Materials Project. United States. doi:https://doi.org/10.17188/1707212
The Materials Project. 2020. "Materials Data on Sr5P3O14 by Materials Project". United States. doi:https://doi.org/10.17188/1707212. https://www.osti.gov/servlets/purl/1707212. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1707212,
title = {Materials Data on Sr5P3O14 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5P3O14 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two 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 2.59–2.94 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.83 Å. P is bonded in a tetrahedral geometry to four O atoms. All P–O bond lengths are 1.56 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Sr and one O atom to form face-sharing OSr3O tetrahedra. The O–O bond length is 1.35 Å. In the second O site, O is bonded in a distorted single-bond geometry to three Sr and one P atom. In the third O site, O is bonded in a 1-coordinate geometry to three Sr and one P atom. In the fourth O site, O is bonded in a 4-coordinate geometry to three Sr and one P atom.},
doi = {10.17188/1707212},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}