U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaN2Cl5 by Materials Project
Abstract
LaCl3N2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four nitrogen molecules; two Cl2 ribbons oriented in the (0, 1, 0) direction; and two LaCl3 ribbons oriented in the (1, 0, 0) direction. In each Cl2 ribbon, there are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Cl1- atoms. There are one shorter (2.02 Å) and one longer (2.91 Å) Cl–Cl bond lengths. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Cl1- atoms. In each LaCl3 ribbon, La3+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.63–2.88 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent La3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one La3+ atom.
- Publication Date:
- Other Number(s):
- mp-1213500
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-La-N; crystal structure; LaN2Cl5
- OSTI Identifier:
- 1711969
- DOI:
- https://doi.org/10.17188/1711969
Citation Formats
Materials Data on LaN2Cl5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711969.
Materials Data on LaN2Cl5 by Materials Project. United States. doi:https://doi.org/10.17188/1711969
2020.
"Materials Data on LaN2Cl5 by Materials Project". United States. doi:https://doi.org/10.17188/1711969. https://www.osti.gov/servlets/purl/1711969. Pub date:Wed Apr 29 20:00:00 EDT 2020
@article{osti_1711969,
title = {Materials Data on LaN2Cl5 by Materials Project},
abstractNote = {LaCl3N2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four nitrogen molecules; two Cl2 ribbons oriented in the (0, 1, 0) direction; and two LaCl3 ribbons oriented in the (1, 0, 0) direction. In each Cl2 ribbon, there are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Cl1- atoms. There are one shorter (2.02 Å) and one longer (2.91 Å) Cl–Cl bond lengths. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Cl1- atoms. In each LaCl3 ribbon, La3+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.63–2.88 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent La3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one La3+ atom.},
doi = {10.17188/1711969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}