U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3GdCl6 by Materials Project
Abstract
K3GdCl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.05–3.69 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.90 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.16–3.67 Å. There are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Gd–Cl bond distances ranging from 2.67–2.70 Å. In the second Gd3+ site, Gd3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Gd–Cl bond distances ranging from 2.63–2.71 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four K1+ and one Gd3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinatemore »
- Publication Date:
- Other Number(s):
- mp-1211966
- 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-Gd-K; K3GdCl6; crystal structure
- OSTI Identifier:
- 1681589
- DOI:
- https://doi.org/10.17188/1681589
Citation Formats
Materials Data on K3GdCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681589.
Materials Data on K3GdCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1681589
2020.
"Materials Data on K3GdCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1681589. https://www.osti.gov/servlets/purl/1681589. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1681589,
title = {Materials Data on K3GdCl6 by Materials Project},
abstractNote = {K3GdCl6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.05–3.69 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.28–3.90 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.16–3.67 Å. There are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Gd–Cl bond distances ranging from 2.67–2.70 Å. In the second Gd3+ site, Gd3+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Gd–Cl bond distances ranging from 2.63–2.71 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four K1+ and one Gd3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to five K1+ and one Gd3+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to four K1+ and one Gd3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Gd3+ atom. In the fifth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Gd3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four K1+ and one Gd3+ atom.},
doi = {10.17188/1681589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}