Materials Data on PIrS by Materials Project
收藏DataCite Commons2021-02-04 更新2025-04-09 收录
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https://www.osti.gov/servlets/purl/1754639/
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资源简介：
IrPS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ir5+ is bonded to three equivalent P3- and three equivalent S2- atoms to form IrP3S3 octahedra that share corners with twelve equivalent IrP3S3 octahedra, corners with three equivalent PIr3S tetrahedra, and corners with three equivalent SPIr3 tetrahedra. The corner-sharing octahedra tilt angles range from 65–66°. All Ir–P bond lengths are 2.36 Å. All Ir–S bond lengths are 2.42 Å. P3- is bonded to three equivalent Ir5+ and one S2- atom to form distorted PIr3S tetrahedra that share corners with three equivalent IrP3S3 octahedra, corners with six equivalent PIr3S tetrahedra, and corners with nine equivalent SPIr3 tetrahedra. The corner-sharing octahedral tilt angles are 76°. The P–S bond length is 2.19 Å. S2- is bonded to three equivalent Ir5+ and one P3- atom to form SPIr3 tetrahedra that share corners with three equivalent IrP3S3 octahedra, corners with six equivalent SPIr3 tetrahedra, and corners with nine equivalent PIr3S tetrahedra. The corner-sharing octahedral tilt angles are 77°.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-31
