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Title: Materials Data on Cs3K by Materials Project

Abstract

Cs3K crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and two equivalent K atoms. There are a spread of Cs–Cs bond distances ranging from 5.25–5.40 Å. Both Cs–K bond lengths are 5.23 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and two equivalent K atoms. There are a spread of Cs–Cs bond distances ranging from 5.25–5.40 Å. Both Cs–K bond lengths are 5.23 Å. In the third Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and two equivalent K atoms. All Cs–Cs bond lengths are 5.28 Å. Both Cs–K bond lengths are 5.23 Å. In the fourth Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and two equivalent K atoms. There are one shorter (5.25 Å) and one longer (5.40 Å) Cs–Cs bond lengths. Both Cs–K bond lengths are 5.23 Å. K is bonded in a 12-coordinate geometry to six Cs atoms.

Publication Date:
Other Number(s):
mp-1183940
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cs3K; Cs-K
OSTI Identifier:
1680598
DOI:
https://doi.org/10.17188/1680598

Citation Formats

The Materials Project. Materials Data on Cs3K by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680598.
The Materials Project. Materials Data on Cs3K by Materials Project. United States. doi:https://doi.org/10.17188/1680598
The Materials Project. 2020. "Materials Data on Cs3K by Materials Project". United States. doi:https://doi.org/10.17188/1680598. https://www.osti.gov/servlets/purl/1680598. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1680598,
title = {Materials Data on Cs3K by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3K crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and two equivalent K atoms. There are a spread of Cs–Cs bond distances ranging from 5.25–5.40 Å. Both Cs–K bond lengths are 5.23 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and two equivalent K atoms. There are a spread of Cs–Cs bond distances ranging from 5.25–5.40 Å. Both Cs–K bond lengths are 5.23 Å. In the third Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and two equivalent K atoms. All Cs–Cs bond lengths are 5.28 Å. Both Cs–K bond lengths are 5.23 Å. In the fourth Cs site, Cs is bonded in a 12-coordinate geometry to eight Cs and two equivalent K atoms. There are one shorter (5.25 Å) and one longer (5.40 Å) Cs–Cs bond lengths. Both Cs–K bond lengths are 5.23 Å. K is bonded in a 12-coordinate geometry to six Cs atoms.},
doi = {10.17188/1680598},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}