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Title: Materials Data on YbGeBiO5 by Materials Project

Abstract

YbBiGeO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share a cornercorner with one BiO5 square pyramid, corners with five equivalent GeO4 tetrahedra, edges with three equivalent YbO7 pentagonal bipyramids, and edges with two equivalent BiO5 square pyramids. There are a spread of Yb–O bond distances ranging from 2.33–2.52 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent YbO7 pentagonal bipyramids and corners with three equivalent BiO5 square pyramids. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share a cornercorner with one YbO7 pentagonal bipyramid, corners with three equivalent GeO4 tetrahedra, edges with two equivalent YbO7 pentagonal bipyramids, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.14–2.32 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonalmore » planar geometry to one Yb3+, one Ge4+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form edge-sharing OYb2Bi2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-572456
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; YbGeBiO5; Bi-Ge-O-Yb
OSTI Identifier:
1276404
DOI:
10.17188/1276404

Citation Formats

The Materials Project. Materials Data on YbGeBiO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276404.
The Materials Project. Materials Data on YbGeBiO5 by Materials Project. United States. doi:10.17188/1276404.
The Materials Project. 2020. "Materials Data on YbGeBiO5 by Materials Project". United States. doi:10.17188/1276404. https://www.osti.gov/servlets/purl/1276404. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1276404,
title = {Materials Data on YbGeBiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {YbBiGeO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Yb3+ is bonded to seven O2- atoms to form distorted YbO7 pentagonal bipyramids that share a cornercorner with one BiO5 square pyramid, corners with five equivalent GeO4 tetrahedra, edges with three equivalent YbO7 pentagonal bipyramids, and edges with two equivalent BiO5 square pyramids. There are a spread of Yb–O bond distances ranging from 2.33–2.52 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent YbO7 pentagonal bipyramids and corners with three equivalent BiO5 square pyramids. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. Bi3+ is bonded to five O2- atoms to form distorted BiO5 square pyramids that share a cornercorner with one YbO7 pentagonal bipyramid, corners with three equivalent GeO4 tetrahedra, edges with two equivalent YbO7 pentagonal bipyramids, and edges with two equivalent BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.14–2.32 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb3+, one Ge4+, and one Bi3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Yb3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form edge-sharing OYb2Bi2 tetrahedra.},
doi = {10.17188/1276404},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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