U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlB7Pd15 by Materials Project
Abstract
AlPd15B7 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted linear geometry to two equivalent B atoms. Both Pd–B bond lengths are 2.10 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to one Al and three B atoms. The Pd–Al bond length is 2.79 Å. There are two shorter (2.18 Å) and one longer (2.31 Å) Pd–B bond lengths. In the third Pd site, Pd is bonded in a 4-coordinate geometry to one Al and three B atoms. The Pd–Al bond length is 2.76 Å. There are a spread of Pd–B bond distances ranging from 2.16–2.28 Å. Al is bonded to twelve Pd atoms to form AlPd12 cuboctahedra that share edges with six equivalent BPd6 octahedra. There are three inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six equivalent Pd atoms. In the second B site, B is bonded in a 6-coordinate geometry to six Pd atoms. In the third B site, B is bonded to six Pd atoms to form BPd6 octahedra that share corners with twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1195438
- 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; AlB7Pd15; Al-B-Pd
- OSTI Identifier:
- 1682846
- DOI:
- https://doi.org/10.17188/1682846
Citation Formats
The Materials Project. Materials Data on AlB7Pd15 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1682846.
The Materials Project. Materials Data on AlB7Pd15 by Materials Project. United States. doi:https://doi.org/10.17188/1682846
The Materials Project. 2019.
"Materials Data on AlB7Pd15 by Materials Project". United States. doi:https://doi.org/10.17188/1682846. https://www.osti.gov/servlets/purl/1682846. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1682846,
title = {Materials Data on AlB7Pd15 by Materials Project},
author = {The Materials Project},
abstractNote = {AlPd15B7 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted linear geometry to two equivalent B atoms. Both Pd–B bond lengths are 2.10 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to one Al and three B atoms. The Pd–Al bond length is 2.79 Å. There are two shorter (2.18 Å) and one longer (2.31 Å) Pd–B bond lengths. In the third Pd site, Pd is bonded in a 4-coordinate geometry to one Al and three B atoms. The Pd–Al bond length is 2.76 Å. There are a spread of Pd–B bond distances ranging from 2.16–2.28 Å. Al is bonded to twelve Pd atoms to form AlPd12 cuboctahedra that share edges with six equivalent BPd6 octahedra. There are three inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six equivalent Pd atoms. In the second B site, B is bonded in a 6-coordinate geometry to six Pd atoms. In the third B site, B is bonded to six Pd atoms to form BPd6 octahedra that share corners with two equivalent BPd6 octahedra and edges with two equivalent AlPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 16°.},
doi = {10.17188/1682846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}