Materials Data on La(ClO)3 by Materials Project
Abstract
La(OCl)3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La(OCl)3 sheets oriented in the (0, 0, 1) direction. La is bonded in a 2-coordinate geometry to four O and five Cl atoms. There are a spread of La–O bond distances ranging from 2.41–3.14 Å. There are a spread of La–Cl bond distances ranging from 2.72–2.92 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a linear geometry to two equivalent La atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent La atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one La atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1212032
- 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; La(ClO)3; Cl-La-O
- OSTI Identifier:
- 1717147
- DOI:
- https://doi.org/10.17188/1717147
Citation Formats
The Materials Project. Materials Data on La(ClO)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717147.
The Materials Project. Materials Data on La(ClO)3 by Materials Project. United States. doi:https://doi.org/10.17188/1717147
The Materials Project. 2020.
"Materials Data on La(ClO)3 by Materials Project". United States. doi:https://doi.org/10.17188/1717147. https://www.osti.gov/servlets/purl/1717147. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1717147,
title = {Materials Data on La(ClO)3 by Materials Project},
author = {The Materials Project},
abstractNote = {La(OCl)3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La(OCl)3 sheets oriented in the (0, 0, 1) direction. La is bonded in a 2-coordinate geometry to four O and five Cl atoms. There are a spread of La–O bond distances ranging from 2.41–3.14 Å. There are a spread of La–Cl bond distances ranging from 2.72–2.92 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one O atom. The O–O bond length is 1.24 Å. In the second O site, O is bonded in a linear geometry to two equivalent La atoms. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two equivalent La atoms. In the second Cl site, Cl is bonded in a single-bond geometry to one La atom.},
doi = {10.17188/1717147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}