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Title: Materials Data on NdBiO4 by Materials Project

Abstract

NdBiO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.65 Å. Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.07–2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd3+ and one Bi5+ atom. In the second O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing ONd2Bi2 tetrahedra.

Publication Date:
Other Number(s):
mp-756400
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; NdBiO4; Bi-Nd-O
OSTI Identifier:
1290499
DOI:
https://doi.org/10.17188/1290499

Citation Formats

The Materials Project. Materials Data on NdBiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290499.
The Materials Project. Materials Data on NdBiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290499
The Materials Project. 2020. "Materials Data on NdBiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1290499. https://www.osti.gov/servlets/purl/1290499. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1290499,
title = {Materials Data on NdBiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {NdBiO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.39–2.65 Å. Bi5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.07–2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Nd3+ and one Bi5+ atom. In the second O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Bi5+ atoms to form a mixture of distorted edge and corner-sharing ONd2Bi2 tetrahedra.},
doi = {10.17188/1290499},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}