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Title: Materials Data on Nd2GeO5 by Materials Project

Abstract

Nd2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.70 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 2.35–2.62 Å. Ge4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ge–O bond distances ranging from 1.86–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Nd3+ atoms to form ONd4 tetrahedra that share corners with five ONd4 tetrahedra and edges with three ONd3Ge tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Nd3+ and one O2- atom. The O–O bond length is 1.54 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Nd3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded to three Nd3+ and one Ge4+ atom to form a mixture ofmore » distorted edge and corner-sharing ONd3Ge tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+, one Ge4+, and one O2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-28414
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; Nd2GeO5; Ge-Nd-O
OSTI Identifier:
1202530
DOI:
https://doi.org/10.17188/1202530

Citation Formats

The Materials Project. Materials Data on Nd2GeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202530.
The Materials Project. Materials Data on Nd2GeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1202530
The Materials Project. 2020. "Materials Data on Nd2GeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1202530. https://www.osti.gov/servlets/purl/1202530. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1202530,
title = {Materials Data on Nd2GeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.70 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 2.35–2.62 Å. Ge4+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Ge–O bond distances ranging from 1.86–2.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Nd3+ atoms to form ONd4 tetrahedra that share corners with five ONd4 tetrahedra and edges with three ONd3Ge tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Nd3+ and one O2- atom. The O–O bond length is 1.54 Å. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Nd3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded to three Nd3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing ONd3Ge tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd3+, one Ge4+, and one O2- atom.},
doi = {10.17188/1202530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}