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Title: Materials Data on Sr3P4 by Materials Project

Abstract

Sr3P4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight P+1.50- atoms. There are a spread of Sr–P bond distances ranging from 3.08–3.28 Å. In the second Sr2+ site, Sr2+ is bonded to eight P+1.50- atoms to form SrP8 hexagonal bipyramids that share corners with four equivalent SrP8 hexagonal bipyramids, corners with four equivalent PSr6P pentagonal bipyramids, and edges with two equivalent SrP8 hexagonal bipyramids. There are a spread of Sr–P bond distances ranging from 3.03–3.30 Å. There are two inequivalent P+1.50- sites. In the first P+1.50- site, P+1.50- is bonded in a 8-coordinate geometry to six Sr2+ and two P+1.50- atoms. There are one shorter (2.24 Å) and one longer (2.32 Å) P–P bond lengths. In the second P+1.50- site, P+1.50- is bonded to six Sr2+ and one P+1.50- atom to form distorted PSr6P pentagonal bipyramids that share corners with two equivalent SrP8 hexagonal bipyramids, corners with six equivalent PSr6P pentagonal bipyramids, and edges with six equivalent PSr6P pentagonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-14288
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; Sr3P4; P-Sr
OSTI Identifier:
1190595
DOI:
10.17188/1190595

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sr3P4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190595.
Persson, Kristin, & Project, Materials. Materials Data on Sr3P4 by Materials Project. United States. doi:10.17188/1190595.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sr3P4 by Materials Project". United States. doi:10.17188/1190595. https://www.osti.gov/servlets/purl/1190595. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190595,
title = {Materials Data on Sr3P4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sr3P4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight P+1.50- atoms. There are a spread of Sr–P bond distances ranging from 3.08–3.28 Å. In the second Sr2+ site, Sr2+ is bonded to eight P+1.50- atoms to form SrP8 hexagonal bipyramids that share corners with four equivalent SrP8 hexagonal bipyramids, corners with four equivalent PSr6P pentagonal bipyramids, and edges with two equivalent SrP8 hexagonal bipyramids. There are a spread of Sr–P bond distances ranging from 3.03–3.30 Å. There are two inequivalent P+1.50- sites. In the first P+1.50- site, P+1.50- is bonded in a 8-coordinate geometry to six Sr2+ and two P+1.50- atoms. There are one shorter (2.24 Å) and one longer (2.32 Å) P–P bond lengths. In the second P+1.50- site, P+1.50- is bonded to six Sr2+ and one P+1.50- atom to form distorted PSr6P pentagonal bipyramids that share corners with two equivalent SrP8 hexagonal bipyramids, corners with six equivalent PSr6P pentagonal bipyramids, and edges with six equivalent PSr6P pentagonal bipyramids.},
doi = {10.17188/1190595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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