Materials Data on As2Pd by Materials Project
PdAs2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pd4+ is bonded to six equivalent As2- atoms to form PdAs6 octahedra that share corners with twelve equivalent PdAs6 octahedra and corners with six equivalent AsAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Pd–As bond lengths are 2.54 Å. As2- is bonded to three equivalent Pd4+ and one As2- atom to form AsAsPd3 tetrahedra that share corners with three equivalent PdAs6 octahedra and corners with fifteen equivalent AsAsPd3 tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–As bond length is 2.46 Å.
- 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:
- 1195595
- Report Number(s):
- mp-20465
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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