Title: Materials Data on NdBi2IO4 by Materials Project

Abstract

NdBi2O4I is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nd–O bond lengths are 2.48 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.28 Å. All Bi–I bond lengths are 3.67 Å. O2- is bonded to two equivalent Nd3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing ONd2Bi2 tetrahedra. I1- is bonded in a distorted body-centered cubic geometry to eight equivalent Bi3+ atoms.

Publication Date:
Other Number(s):
mp-549333
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Bi-I-Nd-O; crystal structure; NdBi2IO4
OSTI Identifier:
1267376
DOI:
https://doi.org/10.17188/1267376

Citation Formats

Materials Data on NdBi2IO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267376.
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Materials Data on NdBi2IO4 by Materials Project. United States. doi:https://doi.org/10.17188/1267376
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2020. "Materials Data on NdBi2IO4 by Materials Project". United States. doi:https://doi.org/10.17188/1267376. https://www.osti.gov/servlets/purl/1267376. Pub date:Tue Jul 14 20:00:00 EDT 2020
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@article{osti_1267376,
title = {Materials Data on NdBi2IO4 by Materials Project},
abstractNote = {NdBi2O4I is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Nd–O bond lengths are 2.48 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.28 Å. All Bi–I bond lengths are 3.67 Å. O2- is bonded to two equivalent Nd3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing ONd2Bi2 tetrahedra. I1- is bonded in a distorted body-centered cubic geometry to eight equivalent Bi3+ atoms.},
doi = {10.17188/1267376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1267376
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