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Title: Materials Data on YGeBiO5 by Materials Project

Abstract

YBiGeO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra and edges with three equivalent YO7 pentagonal bipyramids. There are a spread of Y–O bond distances ranging from 2.32–2.42 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent YO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. Bi3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.35 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+, one Ge4+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Bi3+ atoms to form edge-sharing OY2Bi2more » tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1207680
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; YGeBiO5; Bi-Ge-O-Y
OSTI Identifier:
1758169
DOI:
https://doi.org/10.17188/1758169

Citation Formats

The Materials Project. Materials Data on YGeBiO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758169.
The Materials Project. Materials Data on YGeBiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1758169
The Materials Project. 2020. "Materials Data on YGeBiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1758169. https://www.osti.gov/servlets/purl/1758169. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758169,
title = {Materials Data on YGeBiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {YBiGeO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra and edges with three equivalent YO7 pentagonal bipyramids. There are a spread of Y–O bond distances ranging from 2.32–2.42 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent YO7 pentagonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.80 Å. Bi3+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.18–2.35 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+, one Ge4+, and one Bi3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Bi3+ atoms to form edge-sharing OY2Bi2 tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1758169},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}