Materials Data on MnH8C2NCl3 by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1268368· OSTI ID:1268368

The Materials Project

MnCl3(CH3)2NH2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four dimethylazanium molecules and two MnCl3 ribbons oriented in the (1, 0, 0) direction. In each MnCl3 ribbon, Mn2+ is bonded to six Cl1- atoms to form face-sharing MnCl6 octahedra. There are a spread of Mn–Cl bond distances ranging from 2.50–2.64 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Mn2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Mn2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Mn2+ 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: 1268368
• Report Number(s): mp-567451
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
MnH8C2NCl3
C-Cl-H-Mn-N