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Title: Materials Data on Lu2GeO5 by Materials Project

Abstract

Lu2GeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form distorted LuO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with two equivalent LuO6 octahedra. There are a spread of Lu–O bond distances ranging from 2.15–2.30 Å. In the second Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.68 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 45–69°. There are a spread of Ge–O bond distances ranging from 1.75–1.79 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Lu3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Lu3+ and one Ge4+ atom. In the fourth O2- site,more » O2- is bonded in a distorted trigonal planar geometry to two Lu3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded to four Lu3+ atoms to form distorted edge-sharing OLu4 tetrahedra.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-768388
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; Lu2GeO5; Ge-Lu-O
OSTI Identifier:
1298402
DOI:
10.17188/1298402

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Lu2GeO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298402.
Persson, Kristin, & Project, Materials. Materials Data on Lu2GeO5 by Materials Project. United States. doi:10.17188/1298402.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Lu2GeO5 by Materials Project". United States. doi:10.17188/1298402. https://www.osti.gov/servlets/purl/1298402. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1298402,
title = {Materials Data on Lu2GeO5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Lu2GeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six O2- atoms to form distorted LuO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with two equivalent LuO6 octahedra. There are a spread of Lu–O bond distances ranging from 2.15–2.30 Å. In the second Lu3+ site, Lu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Lu–O bond distances ranging from 2.14–2.68 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 45–69°. There are a spread of Ge–O bond distances ranging from 1.75–1.79 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Lu3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Lu3+ and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Lu3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded to four Lu3+ atoms to form distorted edge-sharing OLu4 tetrahedra.},
doi = {10.17188/1298402},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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