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Title: Materials Data on K6Na3AlSb4 by Materials Project

Abstract

K6Na3AlSb4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.66–3.96 Å. Na1+ is bonded to four Sb3- atoms to form a mixture of distorted edge and corner-sharing NaSb4 tetrahedra. There are two shorter (3.36 Å) and two longer (3.43 Å) Na–Sb bond lengths. Al3+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Al–Sb bond lengths are 2.64 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 1-coordinate geometry to eight equivalent K1+, two equivalent Na1+, and one Al3+ atom. In the second Sb3- site, Sb3- is bonded to six equivalent K1+ and six equivalent Na1+ atoms to form face-sharing SbK6Na6 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-541707
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; K6Na3AlSb4; Al-K-Na-Sb
OSTI Identifier:
1266035
DOI:
https://doi.org/10.17188/1266035

Citation Formats

The Materials Project. Materials Data on K6Na3AlSb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266035.
The Materials Project. Materials Data on K6Na3AlSb4 by Materials Project. United States. doi:https://doi.org/10.17188/1266035
The Materials Project. 2020. "Materials Data on K6Na3AlSb4 by Materials Project". United States. doi:https://doi.org/10.17188/1266035. https://www.osti.gov/servlets/purl/1266035. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1266035,
title = {Materials Data on K6Na3AlSb4 by Materials Project},
author = {The Materials Project},
abstractNote = {K6Na3AlSb4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.66–3.96 Å. Na1+ is bonded to four Sb3- atoms to form a mixture of distorted edge and corner-sharing NaSb4 tetrahedra. There are two shorter (3.36 Å) and two longer (3.43 Å) Na–Sb bond lengths. Al3+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Al–Sb bond lengths are 2.64 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 1-coordinate geometry to eight equivalent K1+, two equivalent Na1+, and one Al3+ atom. In the second Sb3- site, Sb3- is bonded to six equivalent K1+ and six equivalent Na1+ atoms to form face-sharing SbK6Na6 cuboctahedra.},
doi = {10.17188/1266035},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}