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Title: Materials Data on CeGdN2 by Materials Project

Abstract

GdCeN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to six N3- atoms to form GdN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with four equivalent GdN6 octahedra, and edges with eight equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.51 Å) Gd–N bond lengths. Ce3+ is bonded to six N3- atoms to form CeN6 octahedra that share corners with six equivalent CeN6 octahedra, edges with four equivalent CeN6 octahedra, and edges with eight equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.51 Å) Ce–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Gd3+ and four equivalent Ce3+ atoms to form a mixture of corner and edge-sharing NCe4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent Gd3+ and two equivalent Ce3+ atoms to form NCe2Gd4 octahedra that share corners with six equivalent NCe2Gd4 octahedra and edges with twelve NCe4Gd2 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Publication Date:
Other Number(s):
mp-1226544
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; CeGdN2; Ce-Gd-N
OSTI Identifier:
1679410
DOI:
https://doi.org/10.17188/1679410

Citation Formats

The Materials Project. Materials Data on CeGdN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679410.
The Materials Project. Materials Data on CeGdN2 by Materials Project. United States. doi:https://doi.org/10.17188/1679410
The Materials Project. 2020. "Materials Data on CeGdN2 by Materials Project". United States. doi:https://doi.org/10.17188/1679410. https://www.osti.gov/servlets/purl/1679410. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1679410,
title = {Materials Data on CeGdN2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdCeN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Gd3+ is bonded to six N3- atoms to form GdN6 octahedra that share corners with six equivalent GdN6 octahedra, edges with four equivalent GdN6 octahedra, and edges with eight equivalent CeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.51 Å) Gd–N bond lengths. Ce3+ is bonded to six N3- atoms to form CeN6 octahedra that share corners with six equivalent CeN6 octahedra, edges with four equivalent CeN6 octahedra, and edges with eight equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.49 Å) and four longer (2.51 Å) Ce–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Gd3+ and four equivalent Ce3+ atoms to form a mixture of corner and edge-sharing NCe4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent Gd3+ and two equivalent Ce3+ atoms to form NCe2Gd4 octahedra that share corners with six equivalent NCe2Gd4 octahedra and edges with twelve NCe4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1679410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}