Materials Data on Zn2SnN2 by Materials Project
Zn2SnN2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Zn2SnN2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted trigonal planar geometry to four N3- atoms. There are a spread of Zn–N bond distances ranging from 1.98–2.63 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three N3- atoms. There are two shorter (1.99 Å) and one longer (2.02 Å) Zn–N bond lengths. Sn2+ is bonded in an L-shaped geometry to two N3- atoms. There are one shorter (2.12 Å) and one longer (2.13 Å) Sn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to four Zn2+ and one Sn2+ atom. In the second N3- site, N3- is bonded to three Zn2+ and one Sn2+ atom to form corner-sharing NZn3Sn tetrahedra.
- 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:
- 1319444
- Report Number(s):
- mvc-15382
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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