U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaGd(ClO)2 by Materials Project
Abstract
GdLa(OCl)2 is Matlockite-derived structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to four equivalent O2- and five Cl1- atoms. All Gd–O bond lengths are 2.31 Å. There are four shorter (3.18 Å) and one longer (3.19 Å) Gd–Cl bond lengths. La3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five Cl1- atoms. All La–O bond lengths are 2.38 Å. There are one shorter (3.16 Å) and four longer (3.17 Å) La–Cl bond lengths. 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 Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Gd3+ and four equivalent La3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222800
- 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(ClO)2; Cl-Gd-La-O
- OSTI Identifier:
- 1681279
- DOI:
- https://doi.org/10.17188/1681279
Citation Formats
The Materials Project. Materials Data on LaGd(ClO)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681279.
The Materials Project. Materials Data on LaGd(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1681279
The Materials Project. 2020.
"Materials Data on LaGd(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1681279. https://www.osti.gov/servlets/purl/1681279. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681279,
title = {Materials Data on LaGd(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GdLa(OCl)2 is Matlockite-derived structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to four equivalent O2- and five Cl1- atoms. All Gd–O bond lengths are 2.31 Å. There are four shorter (3.18 Å) and one longer (3.19 Å) Gd–Cl bond lengths. La3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five Cl1- atoms. All La–O bond lengths are 2.38 Å. There are one shorter (3.16 Å) and four longer (3.17 Å) La–Cl bond lengths. 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 Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Gd3+ and four equivalent La3+ atoms.},
doi = {10.17188/1681279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}