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Title: Materials Data on ErCrGeO5 by Materials Project

Abstract

ErCrGeO5 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 2.28–2.57 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent CrO6 octahedra. There is four shorter (1.98 Å) and two longer (2.01 Å) Cr–O bond length. Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Ge–O bond distances ranging from 1.76–1.94 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 Cr3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Cr3+ atoms to form a mixture of distorted corner andmore » edge-sharing OEr2Cr2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Ge4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1213301
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; ErCrGeO5; Cr-Er-Ge-O
OSTI Identifier:
1676338
DOI:
https://doi.org/10.17188/1676338

Citation Formats

The Materials Project. Materials Data on ErCrGeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676338.
The Materials Project. Materials Data on ErCrGeO5 by Materials Project. United States. doi:https://doi.org/10.17188/1676338
The Materials Project. 2020. "Materials Data on ErCrGeO5 by Materials Project". United States. doi:https://doi.org/10.17188/1676338. https://www.osti.gov/servlets/purl/1676338. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1676338,
title = {Materials Data on ErCrGeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {ErCrGeO5 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 2.28–2.57 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with four equivalent GeO5 square pyramids and edges with two equivalent CrO6 octahedra. There is four shorter (1.98 Å) and two longer (2.01 Å) Cr–O bond length. Ge4+ is bonded to five O2- atoms to form distorted GeO5 square pyramids that share corners with four equivalent CrO6 octahedra and an edgeedge with one GeO5 square pyramid. The corner-sharing octahedra tilt angles range from 48–55°. There are a spread of Ge–O bond distances ranging from 1.76–1.94 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 Cr3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr3+ and one Ge4+ atom. In the third O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Cr3+ atoms to form a mixture of distorted corner and edge-sharing OEr2Cr2 trigonal pyramids. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1676338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}