Coupled cation and charge ordering in the CaMn3O6 tunnel structure

Joke Hadermann, Artem M. Abakumov, Lisa J. Gillie, Christine Martin, Maryvonne Hervieu

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

The synthesis and crystal structure of a mixed valent manganite CaMn 3O6, equivalent to Ca2/3Mn2O 4, are reported, along with the magnetic properties. The structure was determined using electron diffraction and high-resolution transmission electron microscopy and refined from X-ray and neutron powder diffraction data (a = 10.6940(3) Å, b = 11.3258(3) Å, c = 8.4881(2) Å, β= 122.358(2)°, space group P21/a, RI 0.037, R P = 0.118). The structure is based on a framework of double chains of edge-sharing MnO6 octahedra. The corner-sharing chains form a framework with six-sided tunnels, identical to that of the CaFe 2O4 structure. The Ca2+ cations are located in the tunnels. Compared to CaFe2O4, one-third of the Ca positions in the tunnels remain vacant, with an ordered distribution of vacant and occupied sites. The empty sites in neighboring Ca chains are shifted relative to each other along the c-axis by one period of the CaFe 2O4 subcell, which results in a symmetry decrease from orthorhombic to monoclinic. Based on the interatomic Mn-O distances, the charge ordering in CaMn3O6 is discussed. The compound exhibits a strong anti-ferromagnetic character, and differences between the zfc and fc magnetization curves at low temperature suggest ferro- or ferrimagnetic interactions.

Original languageEnglish
Pages (from-to)5530-5536
Number of pages7
JournalChemistry of Materials
Volume18
Issue number23
DOIs
Publication statusPublished - 14 Nov 2006

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Cations
Tunnels
Positive ions
Neutron powder diffraction
High resolution transmission electron microscopy
Electron diffraction
X ray powder diffraction
Magnetization
Magnetic properties
Crystal structure
Temperature
manganite

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Hadermann, Joke ; Abakumov, Artem M. ; Gillie, Lisa J. ; Martin, Christine ; Hervieu, Maryvonne. / Coupled cation and charge ordering in the CaMn3O6 tunnel structure. In: Chemistry of Materials. 2006 ; Vol. 18, No. 23. pp. 5530-5536.
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abstract = "The synthesis and crystal structure of a mixed valent manganite CaMn 3O6, equivalent to Ca2/3Mn2O 4, are reported, along with the magnetic properties. The structure was determined using electron diffraction and high-resolution transmission electron microscopy and refined from X-ray and neutron powder diffraction data (a = 10.6940(3) {\AA}, b = 11.3258(3) {\AA}, c = 8.4881(2) {\AA}, β= 122.358(2)°, space group P21/a, RI 0.037, R P = 0.118). The structure is based on a framework of double chains of edge-sharing MnO6 octahedra. The corner-sharing chains form a framework with six-sided tunnels, identical to that of the CaFe 2O4 structure. The Ca2+ cations are located in the tunnels. Compared to CaFe2O4, one-third of the Ca positions in the tunnels remain vacant, with an ordered distribution of vacant and occupied sites. The empty sites in neighboring Ca chains are shifted relative to each other along the c-axis by one period of the CaFe 2O4 subcell, which results in a symmetry decrease from orthorhombic to monoclinic. Based on the interatomic Mn-O distances, the charge ordering in CaMn3O6 is discussed. The compound exhibits a strong anti-ferromagnetic character, and differences between the zfc and fc magnetization curves at low temperature suggest ferro- or ferrimagnetic interactions.",
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Hadermann, J, Abakumov, AM, Gillie, LJ, Martin, C & Hervieu, M 2006, 'Coupled cation and charge ordering in the CaMn3O6 tunnel structure', Chemistry of Materials, vol. 18, no. 23, pp. 5530-5536. https://doi.org/10.1021/cm0618998

Coupled cation and charge ordering in the CaMn3O6 tunnel structure. / Hadermann, Joke; Abakumov, Artem M.; Gillie, Lisa J.; Martin, Christine; Hervieu, Maryvonne.

In: Chemistry of Materials, Vol. 18, No. 23, 14.11.2006, p. 5530-5536.

Research output: Contribution to journalArticle

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T1 - Coupled cation and charge ordering in the CaMn3O6 tunnel structure

AU - Hadermann, Joke

AU - Abakumov, Artem M.

AU - Gillie, Lisa J.

AU - Martin, Christine

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N2 - The synthesis and crystal structure of a mixed valent manganite CaMn 3O6, equivalent to Ca2/3Mn2O 4, are reported, along with the magnetic properties. The structure was determined using electron diffraction and high-resolution transmission electron microscopy and refined from X-ray and neutron powder diffraction data (a = 10.6940(3) Å, b = 11.3258(3) Å, c = 8.4881(2) Å, β= 122.358(2)°, space group P21/a, RI 0.037, R P = 0.118). The structure is based on a framework of double chains of edge-sharing MnO6 octahedra. The corner-sharing chains form a framework with six-sided tunnels, identical to that of the CaFe 2O4 structure. The Ca2+ cations are located in the tunnels. Compared to CaFe2O4, one-third of the Ca positions in the tunnels remain vacant, with an ordered distribution of vacant and occupied sites. The empty sites in neighboring Ca chains are shifted relative to each other along the c-axis by one period of the CaFe 2O4 subcell, which results in a symmetry decrease from orthorhombic to monoclinic. Based on the interatomic Mn-O distances, the charge ordering in CaMn3O6 is discussed. The compound exhibits a strong anti-ferromagnetic character, and differences between the zfc and fc magnetization curves at low temperature suggest ferro- or ferrimagnetic interactions.

AB - The synthesis and crystal structure of a mixed valent manganite CaMn 3O6, equivalent to Ca2/3Mn2O 4, are reported, along with the magnetic properties. The structure was determined using electron diffraction and high-resolution transmission electron microscopy and refined from X-ray and neutron powder diffraction data (a = 10.6940(3) Å, b = 11.3258(3) Å, c = 8.4881(2) Å, β= 122.358(2)°, space group P21/a, RI 0.037, R P = 0.118). The structure is based on a framework of double chains of edge-sharing MnO6 octahedra. The corner-sharing chains form a framework with six-sided tunnels, identical to that of the CaFe 2O4 structure. The Ca2+ cations are located in the tunnels. Compared to CaFe2O4, one-third of the Ca positions in the tunnels remain vacant, with an ordered distribution of vacant and occupied sites. The empty sites in neighboring Ca chains are shifted relative to each other along the c-axis by one period of the CaFe 2O4 subcell, which results in a symmetry decrease from orthorhombic to monoclinic. Based on the interatomic Mn-O distances, the charge ordering in CaMn3O6 is discussed. The compound exhibits a strong anti-ferromagnetic character, and differences between the zfc and fc magnetization curves at low temperature suggest ferro- or ferrimagnetic interactions.

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