Materials Data on K2Mg(H2N)4 by Materials Project

Dataset · Wed Apr 29 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1291357· OSTI ID:1291357

K2Mg(NH2)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 1-coordinate geometry to five N3- and nine H1+ atoms. There are a spread of K–N bond distances ranging from 2.93–3.22 Å. There are a spread of K–H bond distances ranging from 2.76–3.09 Å. In the second K1+ site, K1+ is bonded in a 12-coordinate geometry to five N3- and seven H1+ atoms. There are a spread of K–N bond distances ranging from 2.87–3.01 Å. There are a spread of K–H bond distances ranging from 2.80–3.06 Å. Mg2+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.07–2.12 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to three K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.02 Å. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the fourth N3- site, N3- is bonded in a distorted water-like geometry to three K1+, one Mg2+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to two K1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to two equivalent K1+ and one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to two K1+ and one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to two K1+ 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: 1291357
• Report Number(s): mp-759183
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
H-K-Mg-N
K2Mg(H2N)4
crystal structure