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Title: Materials Data on KAlSb4 by Materials Project

Abstract

KAlSb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven Sb1- atoms. There are a spread of K–Sb bond distances ranging from 3.68–3.73 Å. Al3+ is bonded to four Sb1- atoms to form corner-sharing AlSb4 tetrahedra. There are three shorter (2.71 Å) and one longer (2.73 Å) Al–Sb bond lengths. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 2-coordinate geometry to three equivalent K1+, two equivalent Al3+, and one Sb1- atom. The Sb–Sb bond length is 2.88 Å. In the second Sb1- site, Sb1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Al3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.91 Å. In the third Sb1- site, Sb1- is bonded in a 1-coordinate geometry to two equivalent K1+, one Al3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.91 Å. In the fourth Sb1- site, Sb1- is bonded in a distorted T-shaped geometry to three Sb1- atoms.

Publication Date:
Other Number(s):
mp-29373
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; KAlSb4; Al-K-Sb
OSTI Identifier:
1203720
DOI:
10.17188/1203720

Citation Formats

The Materials Project. Materials Data on KAlSb4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1203720.
The Materials Project. Materials Data on KAlSb4 by Materials Project. United States. doi:10.17188/1203720.
The Materials Project. 2017. "Materials Data on KAlSb4 by Materials Project". United States. doi:10.17188/1203720. https://www.osti.gov/servlets/purl/1203720. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1203720,
title = {Materials Data on KAlSb4 by Materials Project},
author = {The Materials Project},
abstractNote = {KAlSb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven Sb1- atoms. There are a spread of K–Sb bond distances ranging from 3.68–3.73 Å. Al3+ is bonded to four Sb1- atoms to form corner-sharing AlSb4 tetrahedra. There are three shorter (2.71 Å) and one longer (2.73 Å) Al–Sb bond lengths. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 2-coordinate geometry to three equivalent K1+, two equivalent Al3+, and one Sb1- atom. The Sb–Sb bond length is 2.88 Å. In the second Sb1- site, Sb1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Al3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.91 Å. In the third Sb1- site, Sb1- is bonded in a 1-coordinate geometry to two equivalent K1+, one Al3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.91 Å. In the fourth Sb1- site, Sb1- is bonded in a distorted T-shaped geometry to three Sb1- atoms.},
doi = {10.17188/1203720},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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