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Title: Materials Data on Eu(BS2)2 by Materials Project

Abstract

Eu(BS2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Eu–S bond distances ranging from 2.94–3.55 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four S2- atoms to form corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.92–1.95 Å. In the second B3+ site, B3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.88–1.97 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two B3+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Eu2+ and two equivalent B3+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Eu2+ and two equivalent B3+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two B3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-510243
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; Eu(BS2)2; B-Eu-S
OSTI Identifier:
1262859
DOI:
https://doi.org/10.17188/1262859

Citation Formats

The Materials Project. Materials Data on Eu(BS2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262859.
The Materials Project. Materials Data on Eu(BS2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1262859
The Materials Project. 2020. "Materials Data on Eu(BS2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1262859. https://www.osti.gov/servlets/purl/1262859. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262859,
title = {Materials Data on Eu(BS2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu(BS2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Eu2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Eu–S bond distances ranging from 2.94–3.55 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to four S2- atoms to form corner-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.92–1.95 Å. In the second B3+ site, B3+ is bonded to four S2- atoms to form a mixture of corner and edge-sharing BS4 tetrahedra. There are a spread of B–S bond distances ranging from 1.88–1.97 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two B3+ atoms. In the second S2- site, S2- is bonded in a distorted water-like geometry to two equivalent Eu2+ and two equivalent B3+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Eu2+ and two equivalent B3+ atoms. In the fourth S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Eu2+ and two B3+ atoms.},
doi = {10.17188/1262859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}