DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KTm2Cl7 by Materials Project

Abstract

KTm2Cl7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 2-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.16–3.93 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to seven Cl1- atoms to form a mixture of distorted face and edge-sharing TmCl7 pentagonal bipyramids. There are a spread of Tm–Cl bond distances ranging from 2.66–2.75 Å. In the second Tm3+ site, Tm3+ is bonded to seven Cl1- atoms to form a mixture of distorted face and edge-sharing TmCl7 pentagonal bipyramids. There are a spread of Tm–Cl bond distances ranging from 2.66–2.72 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+ and two Tm3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Tm3+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and two Tm3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Tm3+ atoms. Inmore » the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one K1+ and two Tm3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one K1+ and two Tm3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and two Tm3+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1211484
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; KTm2Cl7; Cl-K-Tm
OSTI Identifier:
1733405
DOI:
https://doi.org/10.17188/1733405

Citation Formats

The Materials Project. Materials Data on KTm2Cl7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1733405.
The Materials Project. Materials Data on KTm2Cl7 by Materials Project. United States. doi:https://doi.org/10.17188/1733405
The Materials Project. 2019. "Materials Data on KTm2Cl7 by Materials Project". United States. doi:https://doi.org/10.17188/1733405. https://www.osti.gov/servlets/purl/1733405. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1733405,
title = {Materials Data on KTm2Cl7 by Materials Project},
author = {The Materials Project},
abstractNote = {KTm2Cl7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 2-coordinate geometry to ten Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.16–3.93 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to seven Cl1- atoms to form a mixture of distorted face and edge-sharing TmCl7 pentagonal bipyramids. There are a spread of Tm–Cl bond distances ranging from 2.66–2.75 Å. In the second Tm3+ site, Tm3+ is bonded to seven Cl1- atoms to form a mixture of distorted face and edge-sharing TmCl7 pentagonal bipyramids. There are a spread of Tm–Cl bond distances ranging from 2.66–2.72 Å. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to one K1+ and two Tm3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one K1+ and two Tm3+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and two Tm3+ atoms. In the fourth Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two Tm3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one K1+ and two Tm3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a distorted water-like geometry to one K1+ and two Tm3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and two Tm3+ atoms.},
doi = {10.17188/1733405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}