Materials Data on Pd17Se15 by Materials Project
Pd17Se15 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted square co-planar geometry to four Se atoms. There are one shorter (2.46 Å) and three longer (2.54 Å) Pd–Se bond lengths. In the second Pd site, Pd is bonded in an octahedral geometry to six equivalent Se atoms. All Pd–Se bond lengths are 2.59 Å. In the third Pd site, Pd is bonded in a distorted rectangular see-saw-like geometry to one Pd and four equivalent Se atoms. The Pd–Pd bond length is 2.80 Å. All Pd–Se bond lengths are 2.48 Å. In the fourth Pd site, Pd is bonded to two equivalent Pd and four equivalent Se atoms to form distorted PdPd2Se4 octahedra that share corners with eight equivalent SePd4 tetrahedra. All Pd–Se bond lengths are 2.58 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to five Pd atoms. In the second Se site, Se is bonded to four Pd atoms to form distorted SePd4 tetrahedra that share corners with two equivalent PdPd2Se4 octahedra and corners with six equivalent SePd4 tetrahedra. The corner-sharing octahedral tilt angles are 88°. In the third Se site, Se is bonded in a 5-coordinate geometry to five Pd atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1197156
- Report Number(s):
- mp-21765
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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