Materials Data on LaB2ClO4 by Materials Project
Abstract
LaB2O4Cl crystallizes in the triclinic P-1 space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to seven O2- and three equivalent Cl1- atoms. There are a spread of La–O bond distances ranging from 2.41–2.90 Å. There are a spread of La–Cl bond distances ranging from 3.00–3.22 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.33 Å) and two longer (1.40 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-559417
- 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; LaB2ClO4; B-Cl-La-O
- OSTI Identifier:
- 1270850
- DOI:
- https://doi.org/10.17188/1270850
Citation Formats
The Materials Project. Materials Data on LaB2ClO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270850.
The Materials Project. Materials Data on LaB2ClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1270850
The Materials Project. 2020.
"Materials Data on LaB2ClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1270850. https://www.osti.gov/servlets/purl/1270850. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1270850,
title = {Materials Data on LaB2ClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LaB2O4Cl crystallizes in the triclinic P-1 space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to seven O2- and three equivalent Cl1- atoms. There are a spread of La–O bond distances ranging from 2.41–2.90 Å. There are a spread of La–Cl bond distances ranging from 3.00–3.22 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.33 Å) and two longer (1.40 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two B3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two B3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one B3+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms.},
doi = {10.17188/1270850},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}