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Title: Materials Data on Er2GeO5 by Materials Project

Abstract

Er2GeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form distorted ErO6 octahedra that share corners with two ErO6 octahedra, corners with two GeO4 tetrahedra, edges with four ErO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–40°. There are a spread of Er–O bond distances ranging from 2.20–2.37 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with two ErO6 octahedra, corners with four GeO4 tetrahedra, and edges with four ErO6 octahedra. The corner-sharing octahedra tilt angles range from 39–47°. There are a spread of Er–O bond distances ranging from 2.20–2.29 Å. In the third Er3+ site, Er3+ is bonded to six O2- atoms to form distorted ErO6 octahedra that share corners with two ErO6 octahedra, corners with four GeO4 tetrahedra, and edges with four ErO6 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of Er–O bond distances ranging from 2.20–2.37 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+more » is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six ErO6 octahedra and an edgeedge with one ErO6 octahedra. The corner-sharing octahedra tilt angles range from 21–63°. There are a spread of Ge–O bond distances ranging from 1.77–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with eight ErO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four Er3+ atoms to form edge-sharing OEr4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two Er3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded to four Er3+ atoms to form distorted edge-sharing OEr4 tetrahedra. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Ge4+ atom.« less

Publication Date:
Other Number(s):
mp-774547
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; Er2GeO5; Er-Ge-O
OSTI Identifier:
1302623
DOI:
10.17188/1302623

Citation Formats

The Materials Project. Materials Data on Er2GeO5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1302623.
The Materials Project. Materials Data on Er2GeO5 by Materials Project. United States. doi:10.17188/1302623.
The Materials Project. 2017. "Materials Data on Er2GeO5 by Materials Project". United States. doi:10.17188/1302623. https://www.osti.gov/servlets/purl/1302623. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1302623,
title = {Materials Data on Er2GeO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2GeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form distorted ErO6 octahedra that share corners with two ErO6 octahedra, corners with two GeO4 tetrahedra, edges with four ErO6 octahedra, and an edgeedge with one GeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 39–40°. There are a spread of Er–O bond distances ranging from 2.20–2.37 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with two ErO6 octahedra, corners with four GeO4 tetrahedra, and edges with four ErO6 octahedra. The corner-sharing octahedra tilt angles range from 39–47°. There are a spread of Er–O bond distances ranging from 2.20–2.29 Å. In the third Er3+ site, Er3+ is bonded to six O2- atoms to form distorted ErO6 octahedra that share corners with two ErO6 octahedra, corners with four GeO4 tetrahedra, and edges with four ErO6 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of Er–O bond distances ranging from 2.20–2.37 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six ErO6 octahedra and an edgeedge with one ErO6 octahedra. The corner-sharing octahedra tilt angles range from 21–63°. There are a spread of Ge–O bond distances ranging from 1.77–1.81 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with eight ErO6 octahedra. The corner-sharing octahedra tilt angles range from 44–59°. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four Er3+ atoms to form edge-sharing OEr4 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two Er3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Er3+ and one Ge4+ atom. In the seventh O2- site, O2- is bonded to four Er3+ atoms to form distorted edge-sharing OEr4 tetrahedra. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Er3+ and one Ge4+ atom.},
doi = {10.17188/1302623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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