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Crystals 2018, 8(6), 235; https://doi.org/10.3390/cryst8060235

Ba4[Mn3N6], a Quasi-One-Dimensional Mixed-Valent Nitridomanganate (II, IV)

1
Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany
2
Department of Chemistry and Biochemistry, University of Delaware, Newark, DE 19716, USA
*
Author to whom correspondence should be addressed.
Received: 25 April 2018 / Revised: 17 May 2018 / Accepted: 18 May 2018 / Published: 25 May 2018
(This article belongs to the Special Issue Compounds with Polar Metallic Bonding)
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Abstract

The mixed-valent nitridomanganate Ba4[Mn3N6] was prepared using a gas–solid high temperature route. The crystal structure was determined employing high resolution synchrotron powder diffraction data: space group Pbcn, a = 9.9930(1) Å, b = 6.17126(8) Å, c = 14.4692(2) Å, V = 892.31(2) Å3, Z = 4. The manganese atoms in the structure of Ba4[Mn3N6] are four-fold coordinated by nitrogen forming infinite corrugated chains of edge-sharing [MnN4] tetrahedra. The chains demonstrate a complete charge order of Mn species. Magnetization measurements and first principle calculations indicate quasi-one dimensional magnetic behavior. In addition, chemical bonding analysis revealed pronounced Mn–Mn interactions along the chains. View Full-Text
Keywords: nitridometalate; crystal structure; powder diffraction; magnetism nitridometalate; crystal structure; powder diffraction; magnetism
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Ovchinnikov, A.; Bobnar, M.; Prots, Y.; Schnelle, W.; Höhn, P.; Grin, Y. Ba4[Mn3N6], a Quasi-One-Dimensional Mixed-Valent Nitridomanganate (II, IV). Crystals 2018, 8, 235.

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