U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SbIrS by Materials Project
Abstract
IrSbS is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent Sb3- and three equivalent S2- atoms to form IrSb3S3 octahedra that share corners with twelve equivalent IrSb3S3 octahedra, corners with three equivalent SbIr3S tetrahedra, and corners with three equivalent SSbIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 63–65°. There are a spread of Ir–Sb bond distances ranging from 2.60–2.63 Å. There are a spread of Ir–S bond distances ranging from 2.44–2.49 Å. Sb3- is bonded to three equivalent Ir5+ and one S2- atom to form distorted SbIr3S tetrahedra that share corners with three equivalent IrSb3S3 octahedra, corners with six equivalent SbIr3S tetrahedra, and corners with nine equivalent SSbIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 77–81°. The Sb–S bond length is 2.53 Å. S2- is bonded to three equivalent Ir5+ and one Sb3- atom to form SSbIr3 tetrahedra that share corners with three equivalent IrSb3S3 octahedra, corners with six equivalent SSbIr3 tetrahedra, and corners with nine equivalent SbIr3S tetrahedra. The corner-sharing octahedra tilt angles range from 76–81°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-9270
- 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; SbIrS; Ir-S-Sb
- OSTI Identifier:
- 1313104
- DOI:
- https://doi.org/10.17188/1313104
Citation Formats
The Materials Project. Materials Data on SbIrS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313104.
The Materials Project. Materials Data on SbIrS by Materials Project. United States. doi:https://doi.org/10.17188/1313104
The Materials Project. 2020.
"Materials Data on SbIrS by Materials Project". United States. doi:https://doi.org/10.17188/1313104. https://www.osti.gov/servlets/purl/1313104. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1313104,
title = {Materials Data on SbIrS by Materials Project},
author = {The Materials Project},
abstractNote = {IrSbS is Spinel-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent Sb3- and three equivalent S2- atoms to form IrSb3S3 octahedra that share corners with twelve equivalent IrSb3S3 octahedra, corners with three equivalent SbIr3S tetrahedra, and corners with three equivalent SSbIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 63–65°. There are a spread of Ir–Sb bond distances ranging from 2.60–2.63 Å. There are a spread of Ir–S bond distances ranging from 2.44–2.49 Å. Sb3- is bonded to three equivalent Ir5+ and one S2- atom to form distorted SbIr3S tetrahedra that share corners with three equivalent IrSb3S3 octahedra, corners with six equivalent SbIr3S tetrahedra, and corners with nine equivalent SSbIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 77–81°. The Sb–S bond length is 2.53 Å. S2- is bonded to three equivalent Ir5+ and one Sb3- atom to form SSbIr3 tetrahedra that share corners with three equivalent IrSb3S3 octahedra, corners with six equivalent SSbIr3 tetrahedra, and corners with nine equivalent SbIr3S tetrahedra. The corner-sharing octahedra tilt angles range from 76–81°.},
doi = {10.17188/1313104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}