U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KDy2Cl7 by Materials Project
Abstract
KDy2Cl7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.27–3.78 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing DyCl7 pentagonal bipyramids. There are a spread of Dy–Cl bond distances ranging from 2.69–2.74 Å. In the second Dy3+ site, Dy3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing DyCl7 pentagonal bipyramids. There are a spread of Dy–Cl bond distances ranging from 2.69–2.78 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and two Dy3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Dy3+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Dy3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+ and two Dy3+ atoms. Inmore »
- Publication Date:
- Other Number(s):
- mp-540942
- 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-Dy-K; crystal structure; KDy2Cl7
- OSTI Identifier:
- 1264875
- DOI:
- https://doi.org/10.17188/1264875
Citation Formats
Materials Data on KDy2Cl7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264875.
Materials Data on KDy2Cl7 by Materials Project. United States. doi:https://doi.org/10.17188/1264875
2020.
"Materials Data on KDy2Cl7 by Materials Project". United States. doi:https://doi.org/10.17188/1264875. https://www.osti.gov/servlets/purl/1264875. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1264875,
title = {Materials Data on KDy2Cl7 by Materials Project},
abstractNote = {KDy2Cl7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.27–3.78 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing DyCl7 pentagonal bipyramids. There are a spread of Dy–Cl bond distances ranging from 2.69–2.74 Å. In the second Dy3+ site, Dy3+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and face-sharing DyCl7 pentagonal bipyramids. There are a spread of Dy–Cl bond distances ranging from 2.69–2.78 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and two Dy3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Dy3+ atoms. In the third Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Dy3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+ and two Dy3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one K1+ and two Dy3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one K1+ and two Dy3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Dy3+ atoms.},
doi = {10.17188/1264875},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}