Materials Data on LiH2N by Materials Project
LiNH2 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two LiNH2 sheets oriented in the (0, 1, 0) direction. Li1+ is bonded in a 6-coordinate geometry to three equivalent N3- and three H1+ atoms. There are two shorter (2.07 Å) and one longer (2.12 Å) Li–N bond lengths. There are a spread of Li–H bond distances ranging from 1.91–2.29 Å. N3- is bonded in a distorted water-like geometry to three equivalent Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two equivalent Li1+ and one N3- atom.
- 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:
- 1710530
- Report Number(s):
- mp-1087524
- Country of Publication:
- United States
- Language:
- English
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