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}
}