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Title: Materials Data on Nd3VGeO9 by Materials Project

Abstract

Nd3VGeO9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.67 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.81 Å. In the third Nd3+ site, Nd3+ is bonded to seven O2- atoms to form distorted NdO7 pentagonal bipyramids that share a cornercorner with one VO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, an edgeedge with one NdO7 pentagonal bipyramid, and an edgeedge with one VO4 tetrahedra. There are a spread of Nd–O bond distances ranging from 2.34–2.61 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one NdO7 pentagonal bipyramid and an edgeedge with one NdO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent NdO7 pentagonal bipyramids. There are a spread of Ge–O bond distancesmore » ranging from 1.75–1.82 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one V5+ atom. In the third O2- site, O2- is bonded to four Nd3+ atoms to form edge-sharing ONd4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and one V5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one V5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1210369
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; Nd3VGeO9; Ge-Nd-O-V
OSTI Identifier:
1672918
DOI:
https://doi.org/10.17188/1672918

Citation Formats

The Materials Project. Materials Data on Nd3VGeO9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672918.
The Materials Project. Materials Data on Nd3VGeO9 by Materials Project. United States. doi:https://doi.org/10.17188/1672918
The Materials Project. 2019. "Materials Data on Nd3VGeO9 by Materials Project". United States. doi:https://doi.org/10.17188/1672918. https://www.osti.gov/servlets/purl/1672918. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1672918,
title = {Materials Data on Nd3VGeO9 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3VGeO9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.67 Å. In the second Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.81 Å. In the third Nd3+ site, Nd3+ is bonded to seven O2- atoms to form distorted NdO7 pentagonal bipyramids that share a cornercorner with one VO4 tetrahedra, corners with two equivalent GeO4 tetrahedra, an edgeedge with one NdO7 pentagonal bipyramid, and an edgeedge with one VO4 tetrahedra. There are a spread of Nd–O bond distances ranging from 2.34–2.61 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one NdO7 pentagonal bipyramid and an edgeedge with one NdO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.72–1.76 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent NdO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.75–1.82 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one V5+ atom. In the third O2- site, O2- is bonded to four Nd3+ atoms to form edge-sharing ONd4 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and one V5+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two Nd3+ and one Ge4+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Nd3+ and one Ge4+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Nd3+ and one V5+ atom.},
doi = {10.17188/1672918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}