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Title: Materials Data on La3BeAlS7 by Materials Project

Abstract

BeLa3AlS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Be2+ is bonded to six equivalent S2- atoms to form face-sharing BeS6 octahedra. There are three shorter (2.42 Å) and three longer (2.44 Å) Be–S bond lengths. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.88–3.34 Å. Al3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.20 Å) and three longer (2.25 Å) Al–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Al3+ atom. 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 6-coordinate geometry to two equivalent Be2+ and four equivalent La3+ atoms.

Publication Date:
Other Number(s):
mp-1211351
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; La3BeAlS7; Al-Be-La-S
OSTI Identifier:
1652790
DOI:
https://doi.org/10.17188/1652790

Citation Formats

The Materials Project. Materials Data on La3BeAlS7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652790.
The Materials Project. Materials Data on La3BeAlS7 by Materials Project. United States. doi:https://doi.org/10.17188/1652790
The Materials Project. 2020. "Materials Data on La3BeAlS7 by Materials Project". United States. doi:https://doi.org/10.17188/1652790. https://www.osti.gov/servlets/purl/1652790. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1652790,
title = {Materials Data on La3BeAlS7 by Materials Project},
author = {The Materials Project},
abstractNote = {BeLa3AlS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. Be2+ is bonded to six equivalent S2- atoms to form face-sharing BeS6 octahedra. There are three shorter (2.42 Å) and three longer (2.44 Å) Be–S bond lengths. La3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.88–3.34 Å. Al3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.20 Å) and three longer (2.25 Å) Al–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted tetrahedral geometry to three equivalent La3+ and one Al3+ atom. 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 6-coordinate geometry to two equivalent Be2+ and four equivalent La3+ atoms.},
doi = {10.17188/1652790},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}