Materials Data on LaGdN2 by Materials Project
Abstract
GdLaN2 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 LaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–N bond lengths are 2.58 Å. La3+ is bonded to six N3- atoms to form LaN6 octahedra that share corners with six equivalent LaN6 octahedra, edges with four equivalent LaN6 octahedra, and edges with eight equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–N bond lengths are 2.58 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Gd3+ and four equivalent La3+ atoms to form a mixture of corner and edge-sharing NLa4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent Gd3+ and two equivalent La3+ atoms to form NLa2Gd4 octahedra that share corners with six equivalent NLa2Gd4 octahedra and edges with twelve NLa4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222818
- 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; LaGdN2; Gd-La-N
- OSTI Identifier:
- 1744801
- DOI:
- https://doi.org/10.17188/1744801
Citation Formats
The Materials Project. Materials Data on LaGdN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744801.
The Materials Project. Materials Data on LaGdN2 by Materials Project. United States. doi:https://doi.org/10.17188/1744801
The Materials Project. 2020.
"Materials Data on LaGdN2 by Materials Project". United States. doi:https://doi.org/10.17188/1744801. https://www.osti.gov/servlets/purl/1744801. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744801,
title = {Materials Data on LaGdN2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdLaN2 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 LaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–N bond lengths are 2.58 Å. La3+ is bonded to six N3- atoms to form LaN6 octahedra that share corners with six equivalent LaN6 octahedra, edges with four equivalent LaN6 octahedra, and edges with eight equivalent GdN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–N bond lengths are 2.58 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Gd3+ and four equivalent La3+ atoms to form a mixture of corner and edge-sharing NLa4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent Gd3+ and two equivalent La3+ atoms to form NLa2Gd4 octahedra that share corners with six equivalent NLa2Gd4 octahedra and edges with twelve NLa4Gd2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1744801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}