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Title: Materials Data on LaNdC4 by Materials Project

Abstract

NdLaC4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Nd–C bond distances ranging from 2.60–2.82 Å. La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.64 Å) and eight longer (2.85 Å) La–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to three equivalent Nd3+, two equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent Nd3+, three equivalent La3+, and one C+1.50- atom.

Publication Date:
Other Number(s):
mp-1222817
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; LaNdC4; C-La-Nd
OSTI Identifier:
1679425
DOI:
https://doi.org/10.17188/1679425

Citation Formats

The Materials Project. Materials Data on LaNdC4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679425.
The Materials Project. Materials Data on LaNdC4 by Materials Project. United States. doi:https://doi.org/10.17188/1679425
The Materials Project. 2020. "Materials Data on LaNdC4 by Materials Project". United States. doi:https://doi.org/10.17188/1679425. https://www.osti.gov/servlets/purl/1679425. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679425,
title = {Materials Data on LaNdC4 by Materials Project},
author = {The Materials Project},
abstractNote = {NdLaC4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are a spread of Nd–C bond distances ranging from 2.60–2.82 Å. La3+ is bonded in a distorted q4 geometry to ten C+1.50- atoms. There are two shorter (2.64 Å) and eight longer (2.85 Å) La–C bond lengths. There are two inequivalent C+1.50- sites. In the first C+1.50- site, C+1.50- is bonded in a 2-coordinate geometry to three equivalent Nd3+, two equivalent La3+, and one C+1.50- atom. The C–C bond length is 1.30 Å. In the second C+1.50- site, C+1.50- is bonded in a 6-coordinate geometry to two equivalent Nd3+, three equivalent La3+, and one C+1.50- atom.},
doi = {10.17188/1679425},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}