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Title: Materials Data on Eu5P3ClO12 by Materials Project

Abstract

Eu5P3O12Cl crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.60–2.86 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.45–2.85 Å. Both Eu–Cl bond lengths are 3.08 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. Cl1- is bonded to six equivalent Eu2+ atoms to form distorted face-sharing ClEu6 octahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-647532
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; Eu5P3ClO12; Cl-Eu-O-P
OSTI Identifier:
1280721
DOI:
10.17188/1280721

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Eu5P3ClO12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280721.
Persson, Kristin, & Project, Materials. Materials Data on Eu5P3ClO12 by Materials Project. United States. doi:10.17188/1280721.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Eu5P3ClO12 by Materials Project". United States. doi:10.17188/1280721. https://www.osti.gov/servlets/purl/1280721. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280721,
title = {Materials Data on Eu5P3ClO12 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Eu5P3O12Cl crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.60–2.86 Å. In the second Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Eu–O bond distances ranging from 2.45–2.85 Å. Both Eu–Cl bond lengths are 3.08 Å. P5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.55–1.57 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one P5+ atom. Cl1- is bonded to six equivalent Eu2+ atoms to form distorted face-sharing ClEu6 octahedra.},
doi = {10.17188/1280721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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