Materials Data on K2Na(H2N)3 by Materials Project
K2Na(NH2)3 crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted trigonal pyramidal geometry to four equivalent N3- atoms. All K–N bond lengths are 2.97 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent H1+ atoms. All K–H bond lengths are 2.81 Å. In the third K1+ site, K1+ is bonded in a 10-coordinate geometry to four N3- and six H1+ atoms. There are two shorter (2.95 Å) and two longer (2.96 Å) K–N bond lengths. There are a spread of K–H bond distances ranging from 2.76–2.95 Å. Na1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.40 Å) and one longer (2.48 Å) Na–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to two equivalent K1+, one Na1+, and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two K1+, one Na1+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to two K1+ and 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:
- 1311639
- Report Number(s):
- mp-866641
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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