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Title: Materials Data on Gd2Ge(BO4)2 by Materials Project

Abstract

Gd2Ge(BO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.55 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.52 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.80 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Gd3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+, one B3+, and one Ge4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1196136
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; Gd2Ge(BO4)2; B-Gd-Ge-O
OSTI Identifier:
1652913
DOI:
https://doi.org/10.17188/1652913

Citation Formats

The Materials Project. Materials Data on Gd2Ge(BO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652913.
The Materials Project. Materials Data on Gd2Ge(BO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1652913
The Materials Project. 2020. "Materials Data on Gd2Ge(BO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1652913. https://www.osti.gov/servlets/purl/1652913. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1652913,
title = {Materials Data on Gd2Ge(BO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2Ge(BO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.30–2.55 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.52 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.75 Å) and two longer (1.80 Å) Ge–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Gd3+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Gd3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Gd3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+, one B3+, and one Ge4+ atom.},
doi = {10.17188/1652913},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}