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Title: Materials Data on EuV(SeO4)2 by Materials Project

Abstract

EuV(SeO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.73 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.74 Å. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.46 Å. There are four inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.76 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) Se–O bond length. In the third Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.78 Å) Se–O bond length. In the fourth Se4+more » site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.75 Å) Se–O bond length. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Eu3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Eu3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Eu3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Eu3+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent V5+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Eu3+ and one Se4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Eu3+ and one Se4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Eu3+ and one Se4+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent V5+ and one Se4+ atom.« less

Publication Date:
Other Number(s):
mp-1198609
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; EuV(SeO4)2; Eu-O-Se-V
OSTI Identifier:
1759654
DOI:
https://doi.org/10.17188/1759654

Citation Formats

The Materials Project. Materials Data on EuV(SeO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759654.
The Materials Project. Materials Data on EuV(SeO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1759654
The Materials Project. 2020. "Materials Data on EuV(SeO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1759654. https://www.osti.gov/servlets/purl/1759654. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759654,
title = {Materials Data on EuV(SeO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {EuV(SeO4)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.73 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.35–2.74 Å. V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.46 Å. There are four inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.76 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.74 Å) Se–O bond length. In the third Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.78 Å) Se–O bond length. In the fourth Se4+ site, Se4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There is one shorter (1.72 Å) and two longer (1.75 Å) Se–O bond length. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Eu3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Eu3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Eu3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Eu3+ and one V5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent V5+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+ and one Se4+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Eu3+ and one Se4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Eu3+ and one Se4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Eu3+ and one Se4+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent V5+ and one Se4+ atom.},
doi = {10.17188/1759654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}