U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaGd(BrO)2 by Materials Project
Abstract
GdLa(OBr)2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one GdLa(OBr)2 sheet oriented in the (0, 0, 1) direction. Gd3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Gd–O bond lengths are 2.31 Å. All Gd–Br bond lengths are 3.29 Å. La3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All La–O bond lengths are 2.38 Å. All La–Br bond lengths are 3.27 Å. O2- is bonded to two equivalent Gd3+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2Gd2 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Gd3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222815
- 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; LaGd(BrO)2; Br-Gd-La-O
- OSTI Identifier:
- 1744177
- DOI:
- https://doi.org/10.17188/1744177
Citation Formats
The Materials Project. Materials Data on LaGd(BrO)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744177.
The Materials Project. Materials Data on LaGd(BrO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1744177
The Materials Project. 2020.
"Materials Data on LaGd(BrO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1744177. https://www.osti.gov/servlets/purl/1744177. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1744177,
title = {Materials Data on LaGd(BrO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdLa(OBr)2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one GdLa(OBr)2 sheet oriented in the (0, 0, 1) direction. Gd3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Gd–O bond lengths are 2.31 Å. All Gd–Br bond lengths are 3.29 Å. La3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All La–O bond lengths are 2.38 Å. All La–Br bond lengths are 3.27 Å. O2- is bonded to two equivalent Gd3+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2Gd2 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent La3+ atoms. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Gd3+ atoms.},
doi = {10.17188/1744177},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}