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Title: Materials Data on Nd5Si3O13 by Materials Project

Abstract

Nd5Si3O13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Nd+2.80+ sites. In the first Nd+2.80+ site, Nd+2.80+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.30–2.72 Å. In the second Nd+2.80+ site, Nd+2.80+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.42 Å) and three longer (2.50 Å) Nd–O bond lengths. In the third Nd+2.80+ site, Nd+2.80+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.49–2.75 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Nd+2.80+ and one Si4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nd+2.80+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd+2.80+ and one Si4+ atom. In the fourth O2- site, O2- is bondedmore » in a 1-coordinate geometry to three Nd+2.80+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd+2.80+ and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-1210042
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; Nd5Si3O13; Nd-O-Si
OSTI Identifier:
1757646
DOI:
https://doi.org/10.17188/1757646

Citation Formats

The Materials Project. Materials Data on Nd5Si3O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757646.
The Materials Project. Materials Data on Nd5Si3O13 by Materials Project. United States. doi:https://doi.org/10.17188/1757646
The Materials Project. 2020. "Materials Data on Nd5Si3O13 by Materials Project". United States. doi:https://doi.org/10.17188/1757646. https://www.osti.gov/servlets/purl/1757646. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757646,
title = {Materials Data on Nd5Si3O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd5Si3O13 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are three inequivalent Nd+2.80+ sites. In the first Nd+2.80+ site, Nd+2.80+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.30–2.72 Å. In the second Nd+2.80+ site, Nd+2.80+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.42 Å) and three longer (2.50 Å) Nd–O bond lengths. In the third Nd+2.80+ site, Nd+2.80+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.49–2.75 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.64 Å) and three longer (1.65 Å) Si–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Nd+2.80+ and one Si4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nd+2.80+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Nd+2.80+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd+2.80+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd+2.80+ and one Si4+ atom.},
doi = {10.17188/1757646},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}