Structural, magnetic, and electrochemical properties of the high pressure form of Na2Co[PO4]F

Hamdi Yahia, Daisuke Mori, Masahiro Shikano, Hironori Kobayashi, Yoshiyuki Inaguma

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The new compound HP-Na2Co[PO4]F was synthesized by high pressure solid state reaction and its crystal structure was determined from single crystal X-ray diffraction data. The physical properties of HP-Na 2Co[PO4]F were characterized by magnetic susceptibility, specific heat capacity, galvanometric cycling, and electrochemical impedance spectroscopy measurements. HP-Na2Co[PO4]F crystallizes with the space group P63/m, a = 10.5484(15), c = 6.5261(9) Å, V = 628.87(15) Å3 and Z = 6. The crystal structure consists of infinite chains of edge-sharing CoF2O4 octahedra. The latter are interconnected through the PO4 tetrahedra forming a 3D-Co[PO4]F-framework. The six coordinated sodium atoms are distributed over three crystallographic sites (2b, 6h, and 4f). The structure of HP-[Na11/3Na23/3Na32/3]Co[PO4]F is similar to [Na11/3Na23/3Sr1/31/3]Ge[GeO4]O. There is only one difference; Na3 occupies the 4f (1/3, 2/3, 0.0291) atomic position, whereas the Sr occupies the 2c (1/3, 2/3, 1/4) atomic position. The magnetic susceptibility follows a Curie-Weiss behavior above 50 K with Θ = -21 K indicating predominant antiferromagnetic interactions. The specific heat capacity and magnetization measurements show that HP-Na2Co[PO4]F undergoes a three-dimensional magnetic ordering at TN = 11.0(1) K. The ionic conductivity σ, estimated at 350 °C, is 1.5 × 10-7 S cm-1. The electrochemical cycling indicates that only one sodium ion could be extracted during the first charge in Na half-cell; however, the re-intercalation was impossible due to a strong distortion of the structure after the first charge to 5.0 V.

Original languageEnglish
Pages (from-to)13630-13636
Number of pages7
JournalDalton Transactions
Volume43
Issue number36
DOIs
Publication statusPublished - 28 Sep 2014
Externally publishedYes

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Electrochemical properties
Specific heat
Structural properties
Magnetic properties
Hot Temperature
Sodium
Dielectric Spectroscopy
Pressure
Magnetic susceptibility
X-Ray Diffraction
Magnetization
Crystal structure
Ions
Ionic conductivity
Intercalation
Solid state reactions
Electrochemical impedance spectroscopy
Physical properties
Single crystals
X ray diffraction

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Structural, magnetic, and electrochemical properties of the high pressure form of Na2Co[PO4]F. / Yahia, Hamdi; Mori, Daisuke; Shikano, Masahiro; Kobayashi, Hironori; Inaguma, Yoshiyuki.

In: Dalton Transactions, Vol. 43, No. 36, 28.09.2014, p. 13630-13636.

Research output: Contribution to journalArticle

Yahia, Hamdi ; Mori, Daisuke ; Shikano, Masahiro ; Kobayashi, Hironori ; Inaguma, Yoshiyuki. / Structural, magnetic, and electrochemical properties of the high pressure form of Na2Co[PO4]F. In: Dalton Transactions. 2014 ; Vol. 43, No. 36. pp. 13630-13636.
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abstract = "The new compound HP-Na2Co[PO4]F was synthesized by high pressure solid state reaction and its crystal structure was determined from single crystal X-ray diffraction data. The physical properties of HP-Na 2Co[PO4]F were characterized by magnetic susceptibility, specific heat capacity, galvanometric cycling, and electrochemical impedance spectroscopy measurements. HP-Na2Co[PO4]F crystallizes with the space group P63/m, a = 10.5484(15), c = 6.5261(9) {\AA}, V = 628.87(15) {\AA}3 and Z = 6. The crystal structure consists of infinite chains of edge-sharing CoF2O4 octahedra. The latter are interconnected through the PO4 tetrahedra forming a 3D-Co[PO4]F-framework. The six coordinated sodium atoms are distributed over three crystallographic sites (2b, 6h, and 4f). The structure of HP-[Na11/3Na23/3Na32/3]Co[PO4]F is similar to [Na11/3Na23/3Sr1/3□ 1/3]Ge[GeO4]O. There is only one difference; Na3 occupies the 4f (1/3, 2/3, 0.0291) atomic position, whereas the Sr occupies the 2c (1/3, 2/3, 1/4) atomic position. The magnetic susceptibility follows a Curie-Weiss behavior above 50 K with Θ = -21 K indicating predominant antiferromagnetic interactions. The specific heat capacity and magnetization measurements show that HP-Na2Co[PO4]F undergoes a three-dimensional magnetic ordering at TN = 11.0(1) K. The ionic conductivity σ, estimated at 350 °C, is 1.5 × 10-7 S cm-1. The electrochemical cycling indicates that only one sodium ion could be extracted during the first charge in Na half-cell; however, the re-intercalation was impossible due to a strong distortion of the structure after the first charge to 5.0 V.",
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N2 - The new compound HP-Na2Co[PO4]F was synthesized by high pressure solid state reaction and its crystal structure was determined from single crystal X-ray diffraction data. The physical properties of HP-Na 2Co[PO4]F were characterized by magnetic susceptibility, specific heat capacity, galvanometric cycling, and electrochemical impedance spectroscopy measurements. HP-Na2Co[PO4]F crystallizes with the space group P63/m, a = 10.5484(15), c = 6.5261(9) Å, V = 628.87(15) Å3 and Z = 6. The crystal structure consists of infinite chains of edge-sharing CoF2O4 octahedra. The latter are interconnected through the PO4 tetrahedra forming a 3D-Co[PO4]F-framework. The six coordinated sodium atoms are distributed over three crystallographic sites (2b, 6h, and 4f). The structure of HP-[Na11/3Na23/3Na32/3]Co[PO4]F is similar to [Na11/3Na23/3Sr1/3□ 1/3]Ge[GeO4]O. There is only one difference; Na3 occupies the 4f (1/3, 2/3, 0.0291) atomic position, whereas the Sr occupies the 2c (1/3, 2/3, 1/4) atomic position. The magnetic susceptibility follows a Curie-Weiss behavior above 50 K with Θ = -21 K indicating predominant antiferromagnetic interactions. The specific heat capacity and magnetization measurements show that HP-Na2Co[PO4]F undergoes a three-dimensional magnetic ordering at TN = 11.0(1) K. The ionic conductivity σ, estimated at 350 °C, is 1.5 × 10-7 S cm-1. The electrochemical cycling indicates that only one sodium ion could be extracted during the first charge in Na half-cell; however, the re-intercalation was impossible due to a strong distortion of the structure after the first charge to 5.0 V.

AB - The new compound HP-Na2Co[PO4]F was synthesized by high pressure solid state reaction and its crystal structure was determined from single crystal X-ray diffraction data. The physical properties of HP-Na 2Co[PO4]F were characterized by magnetic susceptibility, specific heat capacity, galvanometric cycling, and electrochemical impedance spectroscopy measurements. HP-Na2Co[PO4]F crystallizes with the space group P63/m, a = 10.5484(15), c = 6.5261(9) Å, V = 628.87(15) Å3 and Z = 6. The crystal structure consists of infinite chains of edge-sharing CoF2O4 octahedra. The latter are interconnected through the PO4 tetrahedra forming a 3D-Co[PO4]F-framework. The six coordinated sodium atoms are distributed over three crystallographic sites (2b, 6h, and 4f). The structure of HP-[Na11/3Na23/3Na32/3]Co[PO4]F is similar to [Na11/3Na23/3Sr1/3□ 1/3]Ge[GeO4]O. There is only one difference; Na3 occupies the 4f (1/3, 2/3, 0.0291) atomic position, whereas the Sr occupies the 2c (1/3, 2/3, 1/4) atomic position. The magnetic susceptibility follows a Curie-Weiss behavior above 50 K with Θ = -21 K indicating predominant antiferromagnetic interactions. The specific heat capacity and magnetization measurements show that HP-Na2Co[PO4]F undergoes a three-dimensional magnetic ordering at TN = 11.0(1) K. The ionic conductivity σ, estimated at 350 °C, is 1.5 × 10-7 S cm-1. The electrochemical cycling indicates that only one sodium ion could be extracted during the first charge in Na half-cell; however, the re-intercalation was impossible due to a strong distortion of the structure after the first charge to 5.0 V.

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