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Title: Materials Data on Eu5Nb4O15 by Materials Project

Abstract

Eu5Nb4O15 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with six equivalent EuO12 cuboctahedra, faces with three equivalent EuO12 cuboctahedra, and faces with eight NbO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.81–2.87 Å. In the second Eu2+ site, Eu2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.50–2.92 Å. In the third 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 2.49–2.92 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Eu–O bond distances ranging from 2.51–3.13 Å. In the fifth Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form distorted EuO12 cuboctahedra that share corners with six equivalent EuO12 cuboctahedra, faces with three equivalent EuO12 cuboctahedra, and faces with seven NbO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.52–3.12 Å. Theremore » are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with six EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are three shorter (1.99 Å) and three longer (2.05 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with four EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are three shorter (1.99 Å) and three longer (2.05 Å) Nb–O bond lengths. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra and faces with four EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Nb–O bond distances ranging from 1.91–2.17 Å. In the fourth Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra and a faceface with one EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–9°. There are three shorter (1.91 Å) and three longer (2.17 Å) Nb–O bond lengths. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two Nb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two Nb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two Nb5+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1185383
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; Eu5Nb4O15; Eu-Nb-O
OSTI Identifier:
1711932
DOI:
https://doi.org/10.17188/1711932

Citation Formats

The Materials Project. Materials Data on Eu5Nb4O15 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1711932.
The Materials Project. Materials Data on Eu5Nb4O15 by Materials Project. United States. doi:https://doi.org/10.17188/1711932
The Materials Project. 2020. "Materials Data on Eu5Nb4O15 by Materials Project". United States. doi:https://doi.org/10.17188/1711932. https://www.osti.gov/servlets/purl/1711932. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1711932,
title = {Materials Data on Eu5Nb4O15 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu5Nb4O15 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with six equivalent EuO12 cuboctahedra, faces with three equivalent EuO12 cuboctahedra, and faces with eight NbO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.81–2.87 Å. In the second Eu2+ site, Eu2+ is bonded in a 12-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.50–2.92 Å. In the third 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 2.49–2.92 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Eu–O bond distances ranging from 2.51–3.13 Å. In the fifth Eu2+ site, Eu2+ is bonded to twelve O2- atoms to form distorted EuO12 cuboctahedra that share corners with six equivalent EuO12 cuboctahedra, faces with three equivalent EuO12 cuboctahedra, and faces with seven NbO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.52–3.12 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with six EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are three shorter (1.99 Å) and three longer (2.05 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six NbO6 octahedra and faces with four EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–9°. There are three shorter (1.99 Å) and three longer (2.05 Å) Nb–O bond lengths. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra and faces with four EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. There are a spread of Nb–O bond distances ranging from 1.91–2.17 Å. In the fourth Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra and a faceface with one EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 8–9°. There are three shorter (1.91 Å) and three longer (2.17 Å) Nb–O bond lengths. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to four Eu2+ and one Nb5+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two Nb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two Nb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted linear geometry to four Eu2+ and two Nb5+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the eleventh O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the twelfth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the thirteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms. In the fourteenth O2- site, O2- is bonded in a 2-coordinate geometry to three Eu2+ and two Nb5+ atoms.},
doi = {10.17188/1711932},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}