Materials Data on Pu(SiIr)2 by Materials Project
Abstract
Pu(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.13 Å) and four longer (3.24 Å) Pu–Ir bond lengths. There are four shorter (3.14 Å) and four longer (3.18 Å) Pu–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Pu and five Si atoms. There are one shorter (2.37 Å) and four longer (2.42 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent Pu and four equivalent Si atoms to form distorted IrPu4Si4 tetrahedra that share corners with twelve equivalent SiPu4Ir4 tetrahedra, edges with two equivalent SiPu4Ir4 tetrahedra, edges with four equivalent IrPu4Si4 tetrahedra, and faces with four equivalent IrPu4Si4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pu and five Ir atoms. In the second Si site, Si is bonded to four equivalent Pu and four equivalent Ir atoms to form distorted SiPu4Ir4 tetrahedra that sharemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-505143
- 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; Pu(SiIr)2; Ir-Pu-Si
- OSTI Identifier:
- 1262298
- DOI:
- https://doi.org/10.17188/1262298
Citation Formats
The Materials Project. Materials Data on Pu(SiIr)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262298.
The Materials Project. Materials Data on Pu(SiIr)2 by Materials Project. United States. doi:https://doi.org/10.17188/1262298
The Materials Project. 2020.
"Materials Data on Pu(SiIr)2 by Materials Project". United States. doi:https://doi.org/10.17188/1262298. https://www.osti.gov/servlets/purl/1262298. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1262298,
title = {Materials Data on Pu(SiIr)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pu(IrSi)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu is bonded in a 8-coordinate geometry to eight Ir and eight Si atoms. There are four shorter (3.13 Å) and four longer (3.24 Å) Pu–Ir bond lengths. There are four shorter (3.14 Å) and four longer (3.18 Å) Pu–Si bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Pu and five Si atoms. There are one shorter (2.37 Å) and four longer (2.42 Å) Ir–Si bond lengths. In the second Ir site, Ir is bonded to four equivalent Pu and four equivalent Si atoms to form distorted IrPu4Si4 tetrahedra that share corners with twelve equivalent SiPu4Ir4 tetrahedra, edges with two equivalent SiPu4Ir4 tetrahedra, edges with four equivalent IrPu4Si4 tetrahedra, and faces with four equivalent IrPu4Si4 tetrahedra. All Ir–Si bond lengths are 2.43 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Pu and five Ir atoms. In the second Si site, Si is bonded to four equivalent Pu and four equivalent Ir atoms to form distorted SiPu4Ir4 tetrahedra that share corners with twelve equivalent IrPu4Si4 tetrahedra, edges with two equivalent IrPu4Si4 tetrahedra, edges with four equivalent SiPu4Ir4 tetrahedra, and faces with four equivalent SiPu4Ir4 tetrahedra.},
doi = {10.17188/1262298},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}