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Title: Materials Data on Nd4Si5 by Materials Project

Abstract

Nd4Si5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.09–3.31 Å. In the second Nd3+ site, Nd3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.11–3.31 Å. In the third Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.02–3.21 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.03–3.17 Å. There are five inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to seven Nd3+ and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to seven Nd3+ and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+2.40- site, Si+2.40- is bonded in amore » 9-coordinate geometry to six Nd3+ and three Si+2.40- atoms. The Si–Si bond length is 2.36 Å. In the fourth Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to six Nd3+ and two equivalent Si+2.40- atoms. In the fifth Si+2.40- site, Si+2.40- is bonded in a 7-coordinate geometry to six Nd3+ and one Si+2.40- atom.« less

Publication Date:
Other Number(s):
mp-1220181
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; Nd4Si5; Nd-Si
OSTI Identifier:
1724783
DOI:
https://doi.org/10.17188/1724783

Citation Formats

The Materials Project. Materials Data on Nd4Si5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724783.
The Materials Project. Materials Data on Nd4Si5 by Materials Project. United States. doi:https://doi.org/10.17188/1724783
The Materials Project. 2020. "Materials Data on Nd4Si5 by Materials Project". United States. doi:https://doi.org/10.17188/1724783. https://www.osti.gov/servlets/purl/1724783. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1724783,
title = {Materials Data on Nd4Si5 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd4Si5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 8-coordinate geometry to eight Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.09–3.31 Å. In the second Nd3+ site, Nd3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.11–3.31 Å. In the third Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.02–3.21 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven Si+2.40- atoms. There are a spread of Nd–Si bond distances ranging from 3.03–3.17 Å. There are five inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to seven Nd3+ and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.46 Å. In the second Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to seven Nd3+ and two equivalent Si+2.40- atoms. Both Si–Si bond lengths are 2.45 Å. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to six Nd3+ and three Si+2.40- atoms. The Si–Si bond length is 2.36 Å. In the fourth Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to six Nd3+ and two equivalent Si+2.40- atoms. In the fifth Si+2.40- site, Si+2.40- is bonded in a 7-coordinate geometry to six Nd3+ and one Si+2.40- atom.},
doi = {10.17188/1724783},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}