Materials Data on Mn4N by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279704· OSTI ID:1279704

The Materials Project

Mn4N crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one ammonia molecule and one Mn framework. In the Mn framework, there are four inequivalent Mn sites. In the first Mn site, Mn is bonded to six Mn atoms to form corner-sharing MnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.16 Å) and two longer (2.17 Å) Mn–Mn bond lengths. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms. In the fourth Mn site, Mn is bonded in a linear geometry to two equivalent Mn atoms.

• 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: 1279704
• Report Number(s): mp-637576
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Mn4N
Mn-N