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Title: Materials Data on Gd3BiO3 by Materials Project

Abstract

Gd3BiO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 4-coordinate geometry to four equivalent Bi and four O atoms. There are two shorter (3.46 Å) and two longer (3.51 Å) Gd–Bi bond lengths. There are a spread of Gd–O bond distances ranging from 2.28–2.69 Å. In the second Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.35 Å. There are a spread of Gd–O bond distances ranging from 2.25–2.35 Å. In the third Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.30 Å. There are a spread of Gd–O bond distances ranging from 2.26–2.49 Å. Bi is bonded in a body-centered cubic geometry to eight Gd atoms. There are three inequivalent O sites. In the first O site, O is bonded to four Gd atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O site, O is bonded to four Gd atoms to form a mixturemore » of edge and corner-sharing OGd4 trigonal pyramids. In the third O site, O is bonded to four Gd atoms to form a mixture of distorted edge and corner-sharing OGd4 trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-1103896
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; Gd3BiO3; Bi-Gd-O
OSTI Identifier:
1706843
DOI:
https://doi.org/10.17188/1706843

Citation Formats

The Materials Project. Materials Data on Gd3BiO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1706843.
The Materials Project. Materials Data on Gd3BiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1706843
The Materials Project. 2020. "Materials Data on Gd3BiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1706843. https://www.osti.gov/servlets/purl/1706843. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1706843,
title = {Materials Data on Gd3BiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd3BiO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 4-coordinate geometry to four equivalent Bi and four O atoms. There are two shorter (3.46 Å) and two longer (3.51 Å) Gd–Bi bond lengths. There are a spread of Gd–O bond distances ranging from 2.28–2.69 Å. In the second Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.35 Å. There are a spread of Gd–O bond distances ranging from 2.25–2.35 Å. In the third Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.30 Å. There are a spread of Gd–O bond distances ranging from 2.26–2.49 Å. Bi is bonded in a body-centered cubic geometry to eight Gd atoms. There are three inequivalent O sites. In the first O site, O is bonded to four Gd atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O site, O is bonded to four Gd atoms to form a mixture of edge and corner-sharing OGd4 trigonal pyramids. In the third O site, O is bonded to four Gd atoms to form a mixture of distorted edge and corner-sharing OGd4 trigonal pyramids.},
doi = {10.17188/1706843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}