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Title: Materials Data on Sr2EuCu3(PbO4)2 by Materials Project

Abstract

Sr2EuCu3(PbO4)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.78 Å. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.48 Å. There are two inequivalent Cu+1.67+ sites. In the first Cu+1.67+ site, Cu+1.67+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. In the second Cu+1.67+ site, Cu+1.67+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one PbO5 square pyramid and corners with four equivalent CuO5 square pyramids. There are four shorter (1.93 Å) and one longer (2.32 Å) Cu–O bond lengths. Pb2+ is bonded to five O2- atoms to form PbO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with four equivalent PbO5 square pyramids, and edges with four equivalent PbO5 square pyramids. There are one shorter (2.18 Å) and four longer (2.72 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalentmore » Sr2+, two equivalent Eu3+, and two equivalent Cu+1.67+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr2Eu2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°. In the second O2- site, O2- is bonded to one Sr2+, one Cu+1.67+, and four equivalent Pb2+ atoms to form distorted OSrCuPb4 octahedra that share corners with nine OSr2Eu2Cu2 octahedra and edges with eight OSrCuPb4 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Cu+1.67+, and one Pb2+ atom to form distorted OSr4CuPb octahedra that share corners with twelve OSr2Eu2Cu2 octahedra, edges with eight OSrCuPb4 octahedra, and faces with four equivalent OSr2Eu2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 21–52°.« less

Authors:
Publication Date:
Other Number(s):
mp-20041
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr2EuCu3(PbO4)2; Cu-Eu-O-Pb-Sr
OSTI Identifier:
1195207
DOI:
https://doi.org/10.17188/1195207

Citation Formats

The Materials Project. Materials Data on Sr2EuCu3(PbO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195207.
The Materials Project. Materials Data on Sr2EuCu3(PbO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1195207
The Materials Project. 2020. "Materials Data on Sr2EuCu3(PbO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1195207. https://www.osti.gov/servlets/purl/1195207. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1195207,
title = {Materials Data on Sr2EuCu3(PbO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2EuCu3(PbO4)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–2.78 Å. Eu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Eu–O bond lengths are 2.48 Å. There are two inequivalent Cu+1.67+ sites. In the first Cu+1.67+ site, Cu+1.67+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. In the second Cu+1.67+ site, Cu+1.67+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one PbO5 square pyramid and corners with four equivalent CuO5 square pyramids. There are four shorter (1.93 Å) and one longer (2.32 Å) Cu–O bond lengths. Pb2+ is bonded to five O2- atoms to form PbO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with four equivalent PbO5 square pyramids, and edges with four equivalent PbO5 square pyramids. There are one shorter (2.18 Å) and four longer (2.72 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Eu3+, and two equivalent Cu+1.67+ atoms to form a mixture of distorted face, edge, and corner-sharing OSr2Eu2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°. In the second O2- site, O2- is bonded to one Sr2+, one Cu+1.67+, and four equivalent Pb2+ atoms to form distorted OSrCuPb4 octahedra that share corners with nine OSr2Eu2Cu2 octahedra and edges with eight OSrCuPb4 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one Cu+1.67+, and one Pb2+ atom to form distorted OSr4CuPb octahedra that share corners with twelve OSr2Eu2Cu2 octahedra, edges with eight OSrCuPb4 octahedra, and faces with four equivalent OSr2Eu2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 21–52°.},
doi = {10.17188/1195207},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}