U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y5(SiB4)2 by Materials Project
Abstract
Y5Si2B8 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to nine B and three equivalent Si atoms. There are a spread of Y–B bond distances ranging from 2.64–2.97 Å. There are one shorter (3.07 Å) and two longer (3.13 Å) Y–Si bond lengths. In the second Y site, Y is bonded to two equivalent B and four equivalent Si atoms to form corner-sharing YSi4B2 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Y–B bond lengths are 2.74 Å. All Y–Si bond lengths are 2.91 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Y and five B atoms. There are a spread of B–B bond distances ranging from 1.76–1.83 Å. In the second B site, B is bonded in a 3-coordinate geometry to six equivalent Y and three B atoms. The B–B bond length is 1.85 Å. In the third B site, B is bonded in a 9-coordinate geometry to five Y and four equivalent B atoms. Si is bonded in a 9-coordinate geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1207750
- 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; Y5(SiB4)2; B-Si-Y
- OSTI Identifier:
- 1682199
- DOI:
- https://doi.org/10.17188/1682199
Citation Formats
The Materials Project. Materials Data on Y5(SiB4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1682199.
The Materials Project. Materials Data on Y5(SiB4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1682199
The Materials Project. 2020.
"Materials Data on Y5(SiB4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1682199. https://www.osti.gov/servlets/purl/1682199. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1682199,
title = {Materials Data on Y5(SiB4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y5Si2B8 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to nine B and three equivalent Si atoms. There are a spread of Y–B bond distances ranging from 2.64–2.97 Å. There are one shorter (3.07 Å) and two longer (3.13 Å) Y–Si bond lengths. In the second Y site, Y is bonded to two equivalent B and four equivalent Si atoms to form corner-sharing YSi4B2 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Y–B bond lengths are 2.74 Å. All Y–Si bond lengths are 2.91 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Y and five B atoms. There are a spread of B–B bond distances ranging from 1.76–1.83 Å. In the second B site, B is bonded in a 3-coordinate geometry to six equivalent Y and three B atoms. The B–B bond length is 1.85 Å. In the third B site, B is bonded in a 9-coordinate geometry to five Y and four equivalent B atoms. Si is bonded in a 9-coordinate geometry to eight Y and one Si atom. The Si–Si bond length is 2.35 Å.},
doi = {10.17188/1682199},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}