U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaBr3O7 by Materials Project
Abstract
(La(O2Br)3)2O2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of one hydrogen peroxide molecule and one La(O2Br)3 framework. In the La(O2Br)3 framework, La is bonded in a distorted octahedral geometry to six O atoms. There are a spread of La–O bond distances ranging from 2.37–2.51 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one La and one Br atom. The O–Br bond length is 1.72 Å. In the second O site, O is bonded in a linear geometry to one La and one Br atom. The O–Br bond length is 1.72 Å. In the third O site, O is bonded in a linear geometry to one La and one Br atom. The O–Br bond length is 1.73 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one La and one Br atom. The O–Br bond length is 1.86 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to one La and one Br atom. The O–Br bond length is 1.80 Å. In the sixth O site, O is bonded inmore »
- Publication Date:
- Other Number(s):
- mp-1192866
- 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; Br-La-O; LaBr3O7; crystal structure
- OSTI Identifier:
- 1717073
- DOI:
- https://doi.org/10.17188/1717073
Citation Formats
Materials Data on LaBr3O7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1717073.
Materials Data on LaBr3O7 by Materials Project. United States. doi:https://doi.org/10.17188/1717073
2019.
"Materials Data on LaBr3O7 by Materials Project". United States. doi:https://doi.org/10.17188/1717073. https://www.osti.gov/servlets/purl/1717073. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1717073,
title = {Materials Data on LaBr3O7 by Materials Project},
abstractNote = {(La(O2Br)3)2O2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of one hydrogen peroxide molecule and one La(O2Br)3 framework. In the La(O2Br)3 framework, La is bonded in a distorted octahedral geometry to six O atoms. There are a spread of La–O bond distances ranging from 2.37–2.51 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one La and one Br atom. The O–Br bond length is 1.72 Å. In the second O site, O is bonded in a linear geometry to one La and one Br atom. The O–Br bond length is 1.72 Å. In the third O site, O is bonded in a linear geometry to one La and one Br atom. The O–Br bond length is 1.73 Å. In the fourth O site, O is bonded in a bent 150 degrees geometry to one La and one Br atom. The O–Br bond length is 1.86 Å. In the fifth O site, O is bonded in a 2-coordinate geometry to one La and one Br atom. The O–Br bond length is 1.80 Å. In the sixth O site, O is bonded in a trigonal planar geometry to one La and two Br atoms. There are one shorter (2.07 Å) and one longer (2.18 Å) O–Br bond lengths. There are three inequivalent Br sites. In the first Br site, Br is bonded in a water-like geometry to two O atoms. In the second Br site, Br is bonded in a bent 150 degrees geometry to two O atoms. In the third Br site, Br is bonded in a T-shaped geometry to three O atoms.},
doi = {10.17188/1717073},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}