Materials Data on Ca(MnN)2 by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1318963· OSTI ID:1318963

The Materials Project

Ca(MnN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(MnN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Ca–N bond lengths are 2.32 Å. Mn2+ is bonded in a distorted bent 120 degrees geometry to two equivalent N3- atoms. Both Mn–N bond lengths are 1.79 Å. N3- is bonded to two equivalent Ca2+ and two equivalent Mn2+ atoms to form distorted corner-sharing NCa2Mn2 tetrahedra.

• 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: 1318963
• Report Number(s): mvc-13730
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ca(MnN)2
Ca-Mn-N