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Title: Materials Data on ErGeBiO5 by Materials Project

Abstract

BiErGeO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra and edges with three equivalent ErO7 pentagonal bipyramids. There are a spread of Er–O bond distances ranging from 2.29–2.40 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent ErO7 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 Er3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+, one Ge4+, and one Bi3+ atom. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Bi3+ atoms to form edge-sharing OEr2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Ge4+more » atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559109
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; ErGeBiO5; Bi-Er-Ge-O
OSTI Identifier:
1270676
DOI:
10.17188/1270676

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ErGeBiO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270676.
Persson, Kristin, & Project, Materials. Materials Data on ErGeBiO5 by Materials Project. United States. doi:10.17188/1270676.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ErGeBiO5 by Materials Project". United States. doi:10.17188/1270676. https://www.osti.gov/servlets/purl/1270676. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1270676,
title = {Materials Data on ErGeBiO5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BiErGeO5 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with five equivalent GeO4 tetrahedra and edges with three equivalent ErO7 pentagonal bipyramids. There are a spread of Er–O bond distances ranging from 2.29–2.40 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with five equivalent ErO7 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 Er3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+, one Ge4+, and one Bi3+ atom. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Bi3+ atoms to form edge-sharing OEr2Bi2 tetrahedra. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Er3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Ge4+ and two equivalent Bi3+ atoms.},
doi = {10.17188/1270676},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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