Materials Data on CsSrN9 by Materials Project
CsSrN9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to ten N+0.33- atoms. There are a spread of Cs–N bond distances ranging from 3.16–3.46 Å. Sr2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Sr–N bond distances ranging from 2.68–2.81 Å. There are five inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Sr2+, and one N+0.33- atom. The N–N bond length is 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.18 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Cs1+, one Sr2+, and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a distorted linear geometry to one Cs1+ and two N+0.33- atoms. The N–N bond length is 1.19 Å. In the fifth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to one Cs1+, two equivalent Sr2+, and one N+0.33- atom.
- 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:
- 1203610
- Report Number(s):
- mp-29228
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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