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Title: Materials Data on ErAlGeO5 by Materials Project

Abstract

ErAlGeO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.28–2.50 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.89–1.95 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent AlO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Ge–O bond distances ranging from 1.77–1.93 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+, one Al3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Ge4+ atoms to form distorted edge-sharing OEr2Ge2 tetrahedra. In the fourth O2- site,more » O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-1213112
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; ErAlGeO5; Al-Er-Ge-O
OSTI Identifier:
1751374
DOI:
https://doi.org/10.17188/1751374

Citation Formats

The Materials Project. Materials Data on ErAlGeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751374.
The Materials Project. Materials Data on ErAlGeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1751374
The Materials Project. 2020. "Materials Data on ErAlGeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1751374. https://www.osti.gov/servlets/purl/1751374. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1751374,
title = {Materials Data on ErAlGeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {ErAlGeO5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.28–2.50 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.89–1.95 Å. Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent AlO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Ge–O bond distances ranging from 1.77–1.93 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+, one Al3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Ge4+ atoms to form distorted edge-sharing OEr2Ge2 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Ge4+ atom.},
doi = {10.17188/1751374},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}