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Title: Materials Data on Gd5B3O13 by Materials Project

Abstract

Gd5B3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Gd–O bond distances ranging from 2.22–2.57 Å. In the second Gd site, Gd is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.38 Å) and three longer (2.67 Å) Gd–O bond lengths. B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Gd and one B atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Gd atoms. In the third O site, O is bonded in a 1-coordinate geometry to three Gd and one B atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three Gd and one B atom.

Publication Date:
Other Number(s):
mp-1212669
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; Gd5B3O13; B-Gd-O
OSTI Identifier:
1663025
DOI:
https://doi.org/10.17188/1663025

Citation Formats

The Materials Project. Materials Data on Gd5B3O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663025.
The Materials Project. Materials Data on Gd5B3O13 by Materials Project. United States. doi:https://doi.org/10.17188/1663025
The Materials Project. 2020. "Materials Data on Gd5B3O13 by Materials Project". United States. doi:https://doi.org/10.17188/1663025. https://www.osti.gov/servlets/purl/1663025. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1663025,
title = {Materials Data on Gd5B3O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd5B3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Gd–O bond distances ranging from 2.22–2.57 Å. In the second Gd site, Gd is bonded in a 9-coordinate geometry to nine O atoms. There are six shorter (2.38 Å) and three longer (2.67 Å) Gd–O bond lengths. B is bonded in a tetrahedral geometry to four O atoms. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Gd and one B atom. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Gd atoms. In the third O site, O is bonded in a 1-coordinate geometry to three Gd and one B atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three Gd and one B atom.},
doi = {10.17188/1663025},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}