DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Nd2Co2SiC by Materials Project

Abstract

Nd2Co2SiC crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two Nd2Co2SiC sheets oriented in the (0, 0, 1) direction. Nd3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both Nd–C bond lengths are 2.60 Å. Co1+ is bonded in a single-bond geometry to two equivalent Si4- and one C4- atom. Both Co–Si bond lengths are 2.32 Å. The Co–C bond length is 1.77 Å. Si4- is bonded to four equivalent Co1+ atoms to form distorted SiCo4 cuboctahedra that share corners with four equivalent CNd4Co2 octahedra and edges with two equivalent SiCo4 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. C4- is bonded to four equivalent Nd3+ and two equivalent Co1+ atoms to form CNd4Co2 octahedra that share corners with four equivalent SiCo4 cuboctahedra and edges with two equivalent CNd4Co2 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-1070917
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nd2Co2SiC; C-Co-Nd-Si
OSTI Identifier:
1685159
DOI:
https://doi.org/10.17188/1685159

Citation Formats

The Materials Project. Materials Data on Nd2Co2SiC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685159.
The Materials Project. Materials Data on Nd2Co2SiC by Materials Project. United States. doi:https://doi.org/10.17188/1685159
The Materials Project. 2020. "Materials Data on Nd2Co2SiC by Materials Project". United States. doi:https://doi.org/10.17188/1685159. https://www.osti.gov/servlets/purl/1685159. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685159,
title = {Materials Data on Nd2Co2SiC by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Co2SiC crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two Nd2Co2SiC sheets oriented in the (0, 0, 1) direction. Nd3+ is bonded in a water-like geometry to two equivalent C4- atoms. Both Nd–C bond lengths are 2.60 Å. Co1+ is bonded in a single-bond geometry to two equivalent Si4- and one C4- atom. Both Co–Si bond lengths are 2.32 Å. The Co–C bond length is 1.77 Å. Si4- is bonded to four equivalent Co1+ atoms to form distorted SiCo4 cuboctahedra that share corners with four equivalent CNd4Co2 octahedra and edges with two equivalent SiCo4 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. C4- is bonded to four equivalent Nd3+ and two equivalent Co1+ atoms to form CNd4Co2 octahedra that share corners with four equivalent SiCo4 cuboctahedra and edges with two equivalent CNd4Co2 octahedra.},
doi = {10.17188/1685159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}