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Title: Materials Data on Y2GeO5 by Materials Project

Abstract

Y2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with four equivalent GeO4 tetrahedra, edges with three equivalent YO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.28–2.47 Å. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.56 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent YO7 pentagonal bipyramids and an edgeedge with one YO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to threemore » Y3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-768873
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; Y2GeO5; Ge-O-Y
OSTI Identifier:
1298536
DOI:
https://doi.org/10.17188/1298536

Citation Formats

The Materials Project. Materials Data on Y2GeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298536.
The Materials Project. Materials Data on Y2GeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1298536
The Materials Project. 2020. "Materials Data on Y2GeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1298536. https://www.osti.gov/servlets/purl/1298536. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1298536,
title = {Materials Data on Y2GeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2GeO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with four equivalent GeO4 tetrahedra, edges with three equivalent YO7 pentagonal bipyramids, and an edgeedge with one GeO4 tetrahedra. There are a spread of Y–O bond distances ranging from 2.28–2.47 Å. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.56 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent YO7 pentagonal bipyramids and an edgeedge with one YO7 pentagonal bipyramid. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Y3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and one Ge4+ atom.},
doi = {10.17188/1298536},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}