U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf10CuSn7 by Materials Project
Abstract
Hf10CuSn7 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to two equivalent Hf and six equivalent Sn atoms. Both Hf–Hf bond lengths are 2.93 Å. All Hf–Sn bond lengths are 3.07 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to two equivalent Hf and six equivalent Sn atoms. All Hf–Sn bond lengths are 3.06 Å. In the third Hf site, Hf is bonded to one Cu and six Sn atoms to form distorted HfCuSn6 pentagonal bipyramids that share corners with two equivalent CuHf6Sn2 octahedra, corners with two equivalent SnHf6Cu2 octahedra, corners with eight equivalent HfCuSn6 pentagonal bipyramids, edges with two equivalent HfCuSn6 pentagonal bipyramids, and faces with six equivalent HfCuSn6 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 57–123°. The Hf–Cu bond length is 2.75 Å. There are a spread of Hf–Sn bond distances ranging from 2.82–3.13 Å. Cu is bonded to six equivalent Hf and two equivalent Sn atoms to form distorted CuHf6Sn2 octahedra that share corners with two equivalent CuHf6Sn2 octahedra, corners with twelve equivalent HfCuSn6 pentagonal bipyramids, and faces withmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1224607
- 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; Hf10CuSn7; Cu-Hf-Sn
- OSTI Identifier:
- 1732586
- DOI:
- https://doi.org/10.17188/1732586
Citation Formats
The Materials Project. Materials Data on Hf10CuSn7 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1732586.
The Materials Project. Materials Data on Hf10CuSn7 by Materials Project. United States. doi:https://doi.org/10.17188/1732586
The Materials Project. 2019.
"Materials Data on Hf10CuSn7 by Materials Project". United States. doi:https://doi.org/10.17188/1732586. https://www.osti.gov/servlets/purl/1732586. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1732586,
title = {Materials Data on Hf10CuSn7 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf10CuSn7 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 6-coordinate geometry to two equivalent Hf and six equivalent Sn atoms. Both Hf–Hf bond lengths are 2.93 Å. All Hf–Sn bond lengths are 3.07 Å. In the second Hf site, Hf is bonded in a 6-coordinate geometry to two equivalent Hf and six equivalent Sn atoms. All Hf–Sn bond lengths are 3.06 Å. In the third Hf site, Hf is bonded to one Cu and six Sn atoms to form distorted HfCuSn6 pentagonal bipyramids that share corners with two equivalent CuHf6Sn2 octahedra, corners with two equivalent SnHf6Cu2 octahedra, corners with eight equivalent HfCuSn6 pentagonal bipyramids, edges with two equivalent HfCuSn6 pentagonal bipyramids, and faces with six equivalent HfCuSn6 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 57–123°. The Hf–Cu bond length is 2.75 Å. There are a spread of Hf–Sn bond distances ranging from 2.82–3.13 Å. Cu is bonded to six equivalent Hf and two equivalent Sn atoms to form distorted CuHf6Sn2 octahedra that share corners with two equivalent CuHf6Sn2 octahedra, corners with twelve equivalent HfCuSn6 pentagonal bipyramids, and faces with two equivalent SnHf6Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cu–Sn bond lengths are 2.93 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to nine Hf atoms. In the second Sn site, Sn is bonded to six equivalent Hf and two equivalent Cu atoms to form distorted SnHf6Cu2 octahedra that share corners with two equivalent SnHf6Cu2 octahedra, corners with twelve equivalent HfCuSn6 pentagonal bipyramids, and faces with two equivalent CuHf6Sn2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1732586},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Jan 13 00:00:00 EST 2019},
month = {Sun Jan 13 00:00:00 EST 2019}
}