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Title: Materials Data on Eu2Nb4O13 by Materials Project

Abstract

Eu2Nb4O13 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.24–2.54 Å. In the second Eu3+ site, Eu3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.28–2.57 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.98–2.16 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Nb–O bond distances ranging from 1.95–2.16 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Nb–O bond distances ranging from 1.96–2.15 Å. In the fourth Nb5+ site,more » Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.88–2.49 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Eu3+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+ and two Nb5+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to two Nb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Eu3+ and two Nb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to one Eu3+ and one Nb5+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Nb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms. In the eleventh O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the twelfth O2- site, O2- is bonded in a distorted T-shaped geometry to one Eu3+ and two Nb5+ atoms. In the thirteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms.« less

Publication Date:
Other Number(s):
mp-674312
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; Eu2Nb4O13; Eu-Nb-O
OSTI Identifier:
1282452
DOI:
10.17188/1282452

Citation Formats

The Materials Project. Materials Data on Eu2Nb4O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282452.
The Materials Project. Materials Data on Eu2Nb4O13 by Materials Project. United States. doi:10.17188/1282452.
The Materials Project. 2020. "Materials Data on Eu2Nb4O13 by Materials Project". United States. doi:10.17188/1282452. https://www.osti.gov/servlets/purl/1282452. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1282452,
title = {Materials Data on Eu2Nb4O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2Nb4O13 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.24–2.54 Å. In the second Eu3+ site, Eu3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.28–2.57 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.98–2.16 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Nb–O bond distances ranging from 1.95–2.16 Å. In the third Nb5+ site, Nb5+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Nb–O bond distances ranging from 1.96–2.15 Å. In the fourth Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.88–2.49 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Eu3+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Eu3+ and two Nb5+ atoms. In the sixth O2- site, O2- is bonded in a water-like geometry to two Nb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Eu3+ and two Nb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to one Eu3+ and one Nb5+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Nb5+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms. In the eleventh O2- site, O2- is bonded in a linear geometry to two Nb5+ atoms. In the twelfth O2- site, O2- is bonded in a distorted T-shaped geometry to one Eu3+ and two Nb5+ atoms. In the thirteenth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Eu3+ and two Nb5+ atoms.},
doi = {10.17188/1282452},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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