Materials Data on SiAs2 by Materials Project
SiAs2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Si4+ is bonded to six equivalent As2- atoms to form SiAs6 octahedra that share corners with twelve equivalent SiAs6 octahedra and corners with six equivalent AsSi3As tetrahedra. The corner-sharing octahedral tilt angles are 64°. All Si–As bond lengths are 2.55 Å. As2- is bonded to three equivalent Si4+ and one As2- atom to form distorted AsSi3As tetrahedra that share corners with three equivalent SiAs6 octahedra and corners with fifteen equivalent AsSi3As tetrahedra. The corner-sharing octahedral tilt angles are 78°. The As–As bond length is 2.45 Å.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1196536
- Report Number(s):
- mp-21268
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on As2Pd by Materials Project
Materials Data on ZnS2 by Materials Project
Materials Data on NiP2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1195595
Materials Data on ZnS2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1653118
Materials Data on NiP2 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1198828