U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y3FeB7 by Materials Project
Abstract
Y3FeB7 crystallizes in the orthorhombic Cmcm 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 ten B atoms. There are a spread of Y–B bond distances ranging from 2.62–2.68 Å. In the second Y site, Y is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Y–B bond distances ranging from 2.61–2.72 Å. Fe is bonded in a 10-coordinate geometry to ten B atoms. There are two shorter (2.26 Å) and eight longer (2.27 Å) Fe–B bond lengths. There are four inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to four equivalent Y, two equivalent Fe, and two equivalent B atoms. Both B–B bond lengths are 1.71 Å. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Y, two equivalent Fe, and three B atoms. There is one shorter (1.77 Å) and one longer (1.96 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four Y, two equivalent Fe, and three B atoms. There is one shorter (1.80more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-14542
- 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; Y3FeB7; B-Fe-Y
- OSTI Identifier:
- 1190719
- DOI:
- https://doi.org/10.17188/1190719
Citation Formats
The Materials Project. Materials Data on Y3FeB7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190719.
The Materials Project. Materials Data on Y3FeB7 by Materials Project. United States. doi:https://doi.org/10.17188/1190719
The Materials Project. 2020.
"Materials Data on Y3FeB7 by Materials Project". United States. doi:https://doi.org/10.17188/1190719. https://www.osti.gov/servlets/purl/1190719. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1190719,
title = {Materials Data on Y3FeB7 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3FeB7 crystallizes in the orthorhombic Cmcm 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 ten B atoms. There are a spread of Y–B bond distances ranging from 2.62–2.68 Å. In the second Y site, Y is bonded in a 11-coordinate geometry to eleven B atoms. There are a spread of Y–B bond distances ranging from 2.61–2.72 Å. Fe is bonded in a 10-coordinate geometry to ten B atoms. There are two shorter (2.26 Å) and eight longer (2.27 Å) Fe–B bond lengths. There are four inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to four equivalent Y, two equivalent Fe, and two equivalent B atoms. Both B–B bond lengths are 1.71 Å. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Y, two equivalent Fe, and three B atoms. There is one shorter (1.77 Å) and one longer (1.96 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four Y, two equivalent Fe, and three B atoms. There is one shorter (1.80 Å) and one longer (1.90 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to six Y and three B atoms. Both B–B bond lengths are 1.95 Å.},
doi = {10.17188/1190719},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}