U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2GdCl5 by Materials Project
Abstract
Cs2GdCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.65–4.01 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.55–3.86 Å. Gd3+ is bonded to six Cl1- atoms to form corner-sharing GdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Gd–Cl bond distances ranging from 2.60–2.78 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Gd3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Gd3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Cs1+ and one Gd3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted linear geometry to four Cs1+ and two equivalent Gd3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1213731
- 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; Cl-Cs-Gd; Cs2GdCl5; crystal structure
- OSTI Identifier:
- 1718649
- DOI:
- https://doi.org/10.17188/1718649
Citation Formats
Materials Data on Cs2GdCl5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718649.
Materials Data on Cs2GdCl5 by Materials Project. United States. doi:https://doi.org/10.17188/1718649
2020.
"Materials Data on Cs2GdCl5 by Materials Project". United States. doi:https://doi.org/10.17188/1718649. https://www.osti.gov/servlets/purl/1718649. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1718649,
title = {Materials Data on Cs2GdCl5 by Materials Project},
abstractNote = {Cs2GdCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.65–4.01 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.55–3.86 Å. Gd3+ is bonded to six Cl1- atoms to form corner-sharing GdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Gd–Cl bond distances ranging from 2.60–2.78 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four Cs1+ and one Gd3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four Cs1+ and one Gd3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Cs1+ and one Gd3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted linear geometry to four Cs1+ and two equivalent Gd3+ atoms.},
doi = {10.17188/1718649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}