Materials Data on LiGa(H2N)4 by Materials Project
LiGa(NH2)4 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one LiGa(NH2)4 sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four N3- atoms to form LiN4 tetrahedra that share corners with two equivalent GaN4 tetrahedra and an edgeedge with one GaN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.12–2.19 Å. Ga3+ is bonded to four N3- atoms to form GaN4 tetrahedra that share corners with two equivalent LiN4 tetrahedra and an edgeedge with one LiN4 tetrahedra. There are a spread of Ga–N bond distances ranging from 1.93–1.96 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded to one Li1+, one Ga3+, and two H1+ atoms to form distorted corner-sharing NLiGaH2 tetrahedra. Both N–H bond lengths are 1.02 Å. In the second N3- site, N3- is bonded to one Li1+, one Ga3+, and two H1+ atoms to form a mixture of distorted corner and edge-sharing NLiGaH2 tetrahedra. Both N–H bond lengths are 1.02 Å. In the third N3- site, N3- is bonded to one Li1+, one Ga3+, and two H1+ atoms to form distorted corner-sharing NLiGaH2 tetrahedra. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the fourth N3- site, N3- is bonded to one Li1+, one Ga3+, and two H1+ atoms to form a mixture of distorted corner and edge-sharing NLiGaH2 tetrahedra. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- 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:
- 1679931
- Report Number(s):
- mp-1192659
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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