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Title: Materials Data on La3AlZnS7 by Materials Project

Abstract

La3ZnAlS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.31 Å. Zn2+ is bonded to six equivalent S2- atoms to form face-sharing ZnS6 octahedra. There are three shorter (2.58 Å) and three longer (2.59 Å) Zn–S bond lengths. Al3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.26 Å) Al–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Zn2+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Al3+ atom. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Al3+ atom.

Publication Date:
Other Number(s):
mp-1191872
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; La3AlZnS7; Al-La-S-Zn
OSTI Identifier:
1680152
DOI:
https://doi.org/10.17188/1680152

Citation Formats

The Materials Project. Materials Data on La3AlZnS7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680152.
The Materials Project. Materials Data on La3AlZnS7 by Materials Project. United States. doi:https://doi.org/10.17188/1680152
The Materials Project. 2020. "Materials Data on La3AlZnS7 by Materials Project". United States. doi:https://doi.org/10.17188/1680152. https://www.osti.gov/servlets/purl/1680152. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680152,
title = {Materials Data on La3AlZnS7 by Materials Project},
author = {The Materials Project},
abstractNote = {La3ZnAlS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.31 Å. Zn2+ is bonded to six equivalent S2- atoms to form face-sharing ZnS6 octahedra. There are three shorter (2.58 Å) and three longer (2.59 Å) Zn–S bond lengths. Al3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.22 Å) and three longer (2.26 Å) Al–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Zn2+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Al3+ atom. In the third S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Al3+ atom.},
doi = {10.17188/1680152},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}