Materials Data on LaTcN3 by Materials Project
Abstract
LaTcN3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form distorted LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent TcN6 octahedra. There are a spread of La–N bond distances ranging from 2.55–3.07 Å. Tc6+ is bonded to six equivalent N3- atoms to form TcN6 octahedra that share corners with six equivalent TcN6 octahedra and faces with eight equivalent LaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 15°. All Tc–N bond lengths are 2.00 Å. N3- is bonded in a 5-coordinate geometry to four equivalent La3+ and two equivalent Tc6+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-989593
- 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; LaTcN3; La-N-Tc
- OSTI Identifier:
- 1316891
- DOI:
- https://doi.org/10.17188/1316891
Citation Formats
The Materials Project. Materials Data on LaTcN3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316891.
The Materials Project. Materials Data on LaTcN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316891
The Materials Project. 2020.
"Materials Data on LaTcN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316891. https://www.osti.gov/servlets/purl/1316891. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316891,
title = {Materials Data on LaTcN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaTcN3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form distorted LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent TcN6 octahedra. There are a spread of La–N bond distances ranging from 2.55–3.07 Å. Tc6+ is bonded to six equivalent N3- atoms to form TcN6 octahedra that share corners with six equivalent TcN6 octahedra and faces with eight equivalent LaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 15°. All Tc–N bond lengths are 2.00 Å. N3- is bonded in a 5-coordinate geometry to four equivalent La3+ and two equivalent Tc6+ atoms.},
doi = {10.17188/1316891},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}