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Title: Materials Data on Y2GeO5 by Materials Project

Abstract

Y2GeO5 crystallizes in the orthorhombic Pnma 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 hexagonal pyramids that share corners with two equivalent YO7 hexagonal pyramids, corners with three equivalent GeO5 trigonal bipyramids, edges with five YO7 hexagonal pyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.28–2.43 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 hexagonal pyramids that share corners with two equivalent YO7 hexagonal pyramids, a cornercorner with one GeO5 trigonal bipyramid, edges with seven YO7 hexagonal pyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.32–2.38 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 trigonal bipyramids that share corners with four YO7 hexagonal pyramids, corners with two equivalent GeO5 trigonal bipyramids, and edges with four YO7 hexagonal pyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.95 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded tomore » four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to three Y3+ and one Ge4+ atom to form distorted OY3Ge tetrahedra that share corners with eight OY4 tetrahedra and edges with three OY3Ge tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two equivalent Ge4+ atoms. In the fifth O2- site, O2- is bonded to three Y3+ and one Ge4+ atom to form OY3Ge tetrahedra that share corners with eight OY4 tetrahedra and edges with two equivalent OY3Ge tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768814
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:
1298523
DOI:
10.17188/1298523

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Y2GeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298523.
Persson, Kristin, & Project, Materials. Materials Data on Y2GeO5 by Materials Project. United States. doi:10.17188/1298523.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Y2GeO5 by Materials Project". United States. doi:10.17188/1298523. https://www.osti.gov/servlets/purl/1298523. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1298523,
title = {Materials Data on Y2GeO5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Y2GeO5 crystallizes in the orthorhombic Pnma 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 hexagonal pyramids that share corners with two equivalent YO7 hexagonal pyramids, corners with three equivalent GeO5 trigonal bipyramids, edges with five YO7 hexagonal pyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.28–2.43 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 hexagonal pyramids that share corners with two equivalent YO7 hexagonal pyramids, a cornercorner with one GeO5 trigonal bipyramid, edges with seven YO7 hexagonal pyramids, and edges with two equivalent GeO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.32–2.38 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 trigonal bipyramids that share corners with four YO7 hexagonal pyramids, corners with two equivalent GeO5 trigonal bipyramids, and edges with four YO7 hexagonal pyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.95 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form a mixture of corner and edge-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to three Y3+ and one Ge4+ atom to form distorted OY3Ge tetrahedra that share corners with eight OY4 tetrahedra and edges with three OY3Ge tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two equivalent Ge4+ atoms. In the fifth O2- site, O2- is bonded to three Y3+ and one Ge4+ atom to form OY3Ge tetrahedra that share corners with eight OY4 tetrahedra and edges with two equivalent OY3Ge tetrahedra.},
doi = {10.17188/1298523},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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