U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al5CuMo2 by Materials Project
Abstract
Mo2CuAl5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to twelve Al atoms to form MoAl12 cuboctahedra that share corners with four equivalent MoAl12 cuboctahedra, corners with eight equivalent CuAl8Mo4 cuboctahedra, edges with eight equivalent MoAl8Cu4 cuboctahedra, edges with sixteen equivalent AlAl6Cu2Mo4 cuboctahedra, faces with two equivalent CuAl8Mo4 cuboctahedra, faces with four equivalent MoAl12 cuboctahedra, and faces with eight equivalent AlAl6Cu2Mo4 cuboctahedra. There are four shorter (2.67 Å) and eight longer (2.87 Å) Mo–Al bond lengths. In the second Mo site, Mo is bonded to four equivalent Cu and eight equivalent Al atoms to form MoAl8Cu4 cuboctahedra that share corners with four equivalent MoAl8Cu4 cuboctahedra, edges with eight equivalent MoAl12 cuboctahedra, edges with sixteen equivalent AlAl6Cu2Mo4 cuboctahedra, faces with four equivalent MoAl8Cu4 cuboctahedra, faces with four equivalent CuAl8Mo4 cuboctahedra, and faces with eight equivalent AlAl6Cu2Mo4 cuboctahedra. All Mo–Cu bond lengths are 2.67 Å. All Mo–Al bond lengths are 2.72 Å. Cu is bonded to four equivalent Mo and eight equivalent Al atoms to form CuAl8Mo4 cuboctahedra that share corners with four equivalent CuAl8Mo4 cuboctahedra, corners with eight equivalent MoAl12 cuboctahedra, edges with sixteenmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1228135
- 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; Al5CuMo2; Al-Cu-Mo
- OSTI Identifier:
- 1718530
- DOI:
- https://doi.org/10.17188/1718530
Citation Formats
The Materials Project. Materials Data on Al5CuMo2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1718530.
The Materials Project. Materials Data on Al5CuMo2 by Materials Project. United States. doi:https://doi.org/10.17188/1718530
The Materials Project. 2019.
"Materials Data on Al5CuMo2 by Materials Project". United States. doi:https://doi.org/10.17188/1718530. https://www.osti.gov/servlets/purl/1718530. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1718530,
title = {Materials Data on Al5CuMo2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mo2CuAl5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded to twelve Al atoms to form MoAl12 cuboctahedra that share corners with four equivalent MoAl12 cuboctahedra, corners with eight equivalent CuAl8Mo4 cuboctahedra, edges with eight equivalent MoAl8Cu4 cuboctahedra, edges with sixteen equivalent AlAl6Cu2Mo4 cuboctahedra, faces with two equivalent CuAl8Mo4 cuboctahedra, faces with four equivalent MoAl12 cuboctahedra, and faces with eight equivalent AlAl6Cu2Mo4 cuboctahedra. There are four shorter (2.67 Å) and eight longer (2.87 Å) Mo–Al bond lengths. In the second Mo site, Mo is bonded to four equivalent Cu and eight equivalent Al atoms to form MoAl8Cu4 cuboctahedra that share corners with four equivalent MoAl8Cu4 cuboctahedra, edges with eight equivalent MoAl12 cuboctahedra, edges with sixteen equivalent AlAl6Cu2Mo4 cuboctahedra, faces with four equivalent MoAl8Cu4 cuboctahedra, faces with four equivalent CuAl8Mo4 cuboctahedra, and faces with eight equivalent AlAl6Cu2Mo4 cuboctahedra. All Mo–Cu bond lengths are 2.67 Å. All Mo–Al bond lengths are 2.72 Å. Cu is bonded to four equivalent Mo and eight equivalent Al atoms to form CuAl8Mo4 cuboctahedra that share corners with four equivalent CuAl8Mo4 cuboctahedra, corners with eight equivalent MoAl12 cuboctahedra, edges with sixteen equivalent AlAl6Cu2Mo4 cuboctahedra, faces with four equivalent CuAl8Mo4 cuboctahedra, faces with six MoAl12 cuboctahedra, and faces with eight equivalent AlAl6Cu2Mo4 cuboctahedra. All Cu–Al bond lengths are 2.72 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to four Mo, two equivalent Cu, and six Al atoms to form distorted AlAl6Cu2Mo4 cuboctahedra that share corners with twelve equivalent AlAl6Cu2Mo4 cuboctahedra, edges with four equivalent CuAl8Mo4 cuboctahedra, edges with eight MoAl12 cuboctahedra, edges with eight equivalent AlAl6Cu2Mo4 cuboctahedra, faces with two equivalent CuAl8Mo4 cuboctahedra, faces with four MoAl12 cuboctahedra, and faces with ten equivalent AlAl6Cu2Mo4 cuboctahedra. There are four shorter (2.67 Å) and two longer (2.87 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a square co-planar geometry to four equivalent Mo and eight equivalent Al atoms.},
doi = {10.17188/1718530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}