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Title: Materials Data on Eu3V2O7 by Materials Project

Abstract

Eu3V2O7 crystallizes in the tetragonal I4/mmm 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 2.36–2.76 Å. In the second Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. There are four shorter (2.74 Å) and eight longer (2.79 Å) Eu–O bond lengths. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with five equivalent VO6 octahedra and faces with four equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.94–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two equivalent V4+ atoms. In the second O2- site, O2- is bonded to five equivalent Eu2+ and one V4+ atom to form a mixture of distorted edge and corner-sharing OEu5V octahedra. The corner-sharing octahedral tiltmore » angles are 13°. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu2+ and two equivalent V4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1212877
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; Eu3V2O7; Eu-O-V
OSTI Identifier:
1689785
DOI:
https://doi.org/10.17188/1689785

Citation Formats

The Materials Project. Materials Data on Eu3V2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689785.
The Materials Project. Materials Data on Eu3V2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1689785
The Materials Project. 2020. "Materials Data on Eu3V2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1689785. https://www.osti.gov/servlets/purl/1689785. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1689785,
title = {Materials Data on Eu3V2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu3V2O7 crystallizes in the tetragonal I4/mmm 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 2.36–2.76 Å. In the second Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. There are four shorter (2.74 Å) and eight longer (2.79 Å) Eu–O bond lengths. V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with five equivalent VO6 octahedra and faces with four equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.94–2.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two equivalent V4+ atoms. In the second O2- site, O2- is bonded to five equivalent Eu2+ and one V4+ atom to form a mixture of distorted edge and corner-sharing OEu5V octahedra. The corner-sharing octahedral tilt angles are 13°. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu2+ and two equivalent V4+ atoms.},
doi = {10.17188/1689785},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}