Co0.5TiOPO4: Crystal structure, magnetic and electrochemical properties

Rachid Essehli; Brahim El Bali; Helmut Ehrenberg; Ingrid Svoboda; Natalia Bramnik; Hartmut Fuess

doi:10.1016/j.materresbull.2008.09.027

Co_0.5TiOPO₄: Crystal structure, magnetic and electrochemical properties

Rachid Essehli
, Brahim El Bali
, Helmut Ehrenberg
, Ingrid Svoboda
, Natalia Bramnik
, Hartmut Fuess

Research output: Contribution to journal › Article › peer-review

29 Scopus citations

Abstract

The new titanium oxyphosphate Co_0.5TiPO₅ has been prepared by solid state reaction. Its structure has been determined by single crystal X-ray diffraction and was further investigated by FT-IR spectroscopy and magnetic measurements. The compound crystallizes in the monoclinic system, S.G: P2₁/c [a = 7.358(1) Å, b = 7.378(2) Å, c = 7.383(3) Å, β = 119.66(3)°, Z = 4, R₁ = 0.0142, wR₂ = 0.0429]. The structure can be described as a network of very distorted TiO₆ octahedra, in which the Ti⁴⁺ ions are displaced from the centres of the octahedra, and slightly distorted PO₄ tetrahedra. Half of the octahedral cavities are occupied by Co atoms. The other half of octahedral sites is vacant and favourable for the electrochemical insertion of lithium. The insertion of lithium was studied by galvanostatic charging and discharging between different voltage limits.

Original language	English
Pages (from-to)	817-821
Number of pages	5
Journal	Materials Research Bulletin
Volume	44
Issue number	4
DOIs	https://doi.org/10.1016/j.materresbull.2008.09.027
State	Published - Apr 2 2009
Externally published	Yes

Funding

R. Essehli thanks the Deutscher Akademischer Austausch-Dienst (DAAD) for the support in enabling the visit to Darmstadt (Germany). General support of the NoE FAME of the European Union is gratefully acknowledged.

Keywords

Crystal structure
IR-spectroscopy

Access to Document

10.1016/j.materresbull.2008.09.027

Cite this

@article{5c579b3aecfe42b793233ba5aeb775d0,

title = "Co0.5TiOPO4: Crystal structure, magnetic and electrochemical properties",

abstract = "The new titanium oxyphosphate Co0.5TiPO5 has been prepared by solid state reaction. Its structure has been determined by single crystal X-ray diffraction and was further investigated by FT-IR spectroscopy and magnetic measurements. The compound crystallizes in the monoclinic system, S.G: P21/c [a = 7.358(1) {\AA}, b = 7.378(2) {\AA}, c = 7.383(3) {\AA}, β = 119.66(3)°, Z = 4, R1 = 0.0142, wR2 = 0.0429]. The structure can be described as a network of very distorted TiO6 octahedra, in which the Ti4+ ions are displaced from the centres of the octahedra, and slightly distorted PO4 tetrahedra. Half of the octahedral cavities are occupied by Co atoms. The other half of octahedral sites is vacant and favourable for the electrochemical insertion of lithium. The insertion of lithium was studied by galvanostatic charging and discharging between different voltage limits.",

keywords = "Crystal structure, IR-spectroscopy",

author = "Rachid Essehli and Bali, \{Brahim El\} and Helmut Ehrenberg and Ingrid Svoboda and Natalia Bramnik and Hartmut Fuess",

year = "2009",

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T1 - Co0.5TiOPO4

T2 - Crystal structure, magnetic and electrochemical properties

AU - Essehli, Rachid

AU - Bali, Brahim El

AU - Ehrenberg, Helmut

AU - Svoboda, Ingrid

AU - Bramnik, Natalia

AU - Fuess, Hartmut

PY - 2009/4/2

Y1 - 2009/4/2

N2 - The new titanium oxyphosphate Co0.5TiPO5 has been prepared by solid state reaction. Its structure has been determined by single crystal X-ray diffraction and was further investigated by FT-IR spectroscopy and magnetic measurements. The compound crystallizes in the monoclinic system, S.G: P21/c [a = 7.358(1) Å, b = 7.378(2) Å, c = 7.383(3) Å, β = 119.66(3)°, Z = 4, R1 = 0.0142, wR2 = 0.0429]. The structure can be described as a network of very distorted TiO6 octahedra, in which the Ti4+ ions are displaced from the centres of the octahedra, and slightly distorted PO4 tetrahedra. Half of the octahedral cavities are occupied by Co atoms. The other half of octahedral sites is vacant and favourable for the electrochemical insertion of lithium. The insertion of lithium was studied by galvanostatic charging and discharging between different voltage limits.

AB - The new titanium oxyphosphate Co0.5TiPO5 has been prepared by solid state reaction. Its structure has been determined by single crystal X-ray diffraction and was further investigated by FT-IR spectroscopy and magnetic measurements. The compound crystallizes in the monoclinic system, S.G: P21/c [a = 7.358(1) Å, b = 7.378(2) Å, c = 7.383(3) Å, β = 119.66(3)°, Z = 4, R1 = 0.0142, wR2 = 0.0429]. The structure can be described as a network of very distorted TiO6 octahedra, in which the Ti4+ ions are displaced from the centres of the octahedra, and slightly distorted PO4 tetrahedra. Half of the octahedral cavities are occupied by Co atoms. The other half of octahedral sites is vacant and favourable for the electrochemical insertion of lithium. The insertion of lithium was studied by galvanostatic charging and discharging between different voltage limits.

KW - Crystal structure

KW - IR-spectroscopy

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DO - 10.1016/j.materresbull.2008.09.027

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