U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaY(B2Rh3)2 by Materials Project
Abstract
LaY(Rh3B2)2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to two equivalent La, twelve Rh, and six B atoms. Both La–La bond lengths are 3.13 Å. There are four shorter (3.17 Å) and eight longer (3.21 Å) La–Rh bond lengths. All La–B bond lengths are 3.18 Å. Y is bonded in a 12-coordinate geometry to two equivalent Y, twelve Rh, and six B atoms. Both Y–Y bond lengths are 3.13 Å. There are eight shorter (3.13 Å) and four longer (3.17 Å) Y–Rh bond lengths. There are four shorter (3.17 Å) and two longer (3.18 Å) Y–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Y and four equivalent B atoms. All Rh–B bond lengths are 2.23 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent La and four equivalent B atoms. All Rh–B bond lengths are 2.23 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent La, two equivalent Y, and four B atoms.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1222811
- 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; LaY(B2Rh3)2; B-La-Rh-Y
- OSTI Identifier:
- 1697504
- DOI:
- https://doi.org/10.17188/1697504
Citation Formats
The Materials Project. Materials Data on LaY(B2Rh3)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1697504.
The Materials Project. Materials Data on LaY(B2Rh3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1697504
The Materials Project. 2019.
"Materials Data on LaY(B2Rh3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1697504. https://www.osti.gov/servlets/purl/1697504. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1697504,
title = {Materials Data on LaY(B2Rh3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LaY(Rh3B2)2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to two equivalent La, twelve Rh, and six B atoms. Both La–La bond lengths are 3.13 Å. There are four shorter (3.17 Å) and eight longer (3.21 Å) La–Rh bond lengths. All La–B bond lengths are 3.18 Å. Y is bonded in a 12-coordinate geometry to two equivalent Y, twelve Rh, and six B atoms. Both Y–Y bond lengths are 3.13 Å. There are eight shorter (3.13 Å) and four longer (3.17 Å) Y–Rh bond lengths. There are four shorter (3.17 Å) and two longer (3.18 Å) Y–B bond lengths. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Y and four equivalent B atoms. All Rh–B bond lengths are 2.23 Å. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent La and four equivalent B atoms. All Rh–B bond lengths are 2.23 Å. In the third Rh site, Rh is bonded in a distorted square co-planar geometry to two equivalent La, two equivalent Y, and four B atoms. There are two shorter (2.23 Å) and two longer (2.24 Å) Rh–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to one La, two equivalent Y, and six Rh atoms. In the second B site, B is bonded in a 6-coordinate geometry to two equivalent La, one Y, and six Rh atoms.},
doi = {10.17188/1697504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}