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Title: Materials Data on KGaSb4 by Materials Project

Abstract

KGaSb4 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 two shorter (3.70 Å) and five longer (3.73 Å) K–Sb bond lengths. Ga3+ is bonded to four Sb1- atoms to form corner-sharing GaSb4 tetrahedra. There are three shorter (2.70 Å) and one longer (2.72 Å) Ga–Sb bond lengths. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Ga3+, and one Sb1- atom. The Sb–Sb bond length is 2.87 Å. In the second Sb1- site, Sb1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Ga3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.91 Å. In the third Sb1- site, Sb1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Ga3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.90 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-29374
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; KGaSb4; Ga-K-Sb
OSTI Identifier:
1203721
DOI:
10.17188/1203721

Citation Formats

The Materials Project. Materials Data on KGaSb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203721.
The Materials Project. Materials Data on KGaSb4 by Materials Project. United States. doi:10.17188/1203721.
The Materials Project. 2020. "Materials Data on KGaSb4 by Materials Project". United States. doi:10.17188/1203721. https://www.osti.gov/servlets/purl/1203721. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1203721,
title = {Materials Data on KGaSb4 by Materials Project},
author = {The Materials Project},
abstractNote = {KGaSb4 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 two shorter (3.70 Å) and five longer (3.73 Å) K–Sb bond lengths. Ga3+ is bonded to four Sb1- atoms to form corner-sharing GaSb4 tetrahedra. There are three shorter (2.70 Å) and one longer (2.72 Å) Ga–Sb bond lengths. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three equivalent K1+, two equivalent Ga3+, and one Sb1- atom. The Sb–Sb bond length is 2.87 Å. In the second Sb1- site, Sb1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Ga3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.91 Å. In the third Sb1- site, Sb1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Ga3+, and two equivalent Sb1- atoms. Both Sb–Sb bond lengths are 2.90 Å. In the fourth Sb1- site, Sb1- is bonded in a distorted T-shaped geometry to three Sb1- atoms.},
doi = {10.17188/1203721},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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