U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BiIrS by Materials Project
Abstract
IrBiS is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir is bonded to three equivalent Bi and three equivalent S atoms to form IrBi3S3 octahedra that share corners with twelve equivalent IrBi3S3 octahedra, corners with three equivalent BiIr3S tetrahedra, and corners with three equivalent SBiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Ir–Bi bond lengths are 2.71 Å. All Ir–S bond lengths are 2.47 Å. Bi is bonded to three equivalent Ir and one S atom to form distorted BiIr3S tetrahedra that share corners with three equivalent IrBi3S3 octahedra, corners with six equivalent BiIr3S tetrahedra, and corners with nine equivalent SBiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Bi–S bond length is 2.66 Å. S is bonded to three equivalent Ir and one Bi atom to form SBiIr3 trigonal pyramids that share corners with three equivalent IrBi3S3 octahedra, corners with nine equivalent BiIr3S tetrahedra, and corners with six equivalent SBiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.
- Publication Date:
- Other Number(s):
- mp-1102836
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-Ir-S; BiIrS; crystal structure
- OSTI Identifier:
- 1709577
- DOI:
- https://doi.org/10.17188/1709577
Citation Formats
Materials Data on BiIrS by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1709577.
Materials Data on BiIrS by Materials Project. United States. doi:https://doi.org/10.17188/1709577
2018.
"Materials Data on BiIrS by Materials Project". United States. doi:https://doi.org/10.17188/1709577. https://www.osti.gov/servlets/purl/1709577. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1709577,
title = {Materials Data on BiIrS by Materials Project},
abstractNote = {IrBiS is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir is bonded to three equivalent Bi and three equivalent S atoms to form IrBi3S3 octahedra that share corners with twelve equivalent IrBi3S3 octahedra, corners with three equivalent BiIr3S tetrahedra, and corners with three equivalent SBiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 63°. All Ir–Bi bond lengths are 2.71 Å. All Ir–S bond lengths are 2.47 Å. Bi is bonded to three equivalent Ir and one S atom to form distorted BiIr3S tetrahedra that share corners with three equivalent IrBi3S3 octahedra, corners with six equivalent BiIr3S tetrahedra, and corners with nine equivalent SBiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°. The Bi–S bond length is 2.66 Å. S is bonded to three equivalent Ir and one Bi atom to form SBiIr3 trigonal pyramids that share corners with three equivalent IrBi3S3 octahedra, corners with nine equivalent BiIr3S tetrahedra, and corners with six equivalent SBiIr3 trigonal pyramids. The corner-sharing octahedral tilt angles are 80°.},
doi = {10.17188/1709577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}