Materials Data on Sr(ZnAs)2 by Materials Project
Sr(ZnAs)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent As3- atoms to form SrAs6 octahedra that share corners with twelve equivalent ZnAs4 tetrahedra, edges with six equivalent SrAs6 octahedra, and edges with six equivalent ZnAs4 tetrahedra. All Sr–As bond lengths are 3.16 Å. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with six equivalent SrAs6 octahedra, corners with six equivalent ZnAs4 tetrahedra, edges with three equivalent SrAs6 octahedra, and edges with three equivalent ZnAs4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–51°. There are three shorter (2.57 Å) and one longer (2.63 Å) Zn–As bond lengths. As3- is bonded to three equivalent Sr2+ and four equivalent Zn2+ atoms to form a mixture of distorted corner and edge-sharing AsSr3Zn4 pentagonal bipyramids.
- 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:
- 1304591
- Report Number(s):
- mp-7770
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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