NaCo(H2PO2)3: Crystal structure and physical study

Brahim El Bali; Mohammed Lachkar; Rachid Essehli; Michal Dusek; Jan Rohlicek; Nicoleta Mircescu; Christoph Haisch

doi:10.1016/j.molstruc.2016.06.022

NaCo(H₂PO₂)₃: Crystal structure and physical study

Brahim El Bali, Mohammed Lachkar, Rachid Essehli, Michal Dusek, Jan Rohlicek, Nicoleta Mircescu, Christoph Haisch

Emerging and Solid-State Batteries

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

2 Scopus citations

Abstract

NaCo(H₂PO₂)₃ was synthesized in solution and its structure was studied by single-crystal X-ray diffraction. It crystallizes in the cubic space group P2₁3 (#198), Z = 4, a = 9.2563(16) Å, V = 793.1(2) Å³. Final residual factors of the refined structure model R/Rw were 0.0367/0.0941. The cations Na⁺ and Co²⁺ are both octahedrally coordinated. [NaO₆] and [CoO₆] share edges to form channels propagating along [1,-1, -1] with the [H₂PO₂] pseudo-pyramids adjusted inside the channels to the above mentioned octahedra. The IR and Raman spectroscopic studies show the expected bands of the hypophosphite anion. NaCo(H₂PO₂)₃ did not show any electrochemical activity under the electrochemical test conditions (2.4-4.5 V vs. Na/Na+).

Original language	English
Pages (from-to)	30-34
Number of pages	5
Journal	Journal of Molecular Structure
Volume	1123
DOIs	https://doi.org/10.1016/j.molstruc.2016.06.022
State	Published - Nov 5 2016

Funding

Authors would acknowledge the financial support from CNRST (Morocco) (URAC 19) . The crystallographic part was supported by the project 15-12653S of the Czech Science Foundation using instruments of the ASTRA lab established within the Operation program Prague Competitiveness – project CZ.2.16/3.1.00/24510 .

Keywords

Batterie-test
Crystal structure
Hypophosphite
Raman spectroscopy

Access to Document

10.1016/j.molstruc.2016.06.022

Cite this

@article{b683e85bef9b4734a4c87fb3de600ab7,

title = "NaCo(H2PO2)3: Crystal structure and physical study",

abstract = "NaCo(H2PO2)3 was synthesized in solution and its structure was studied by single-crystal X-ray diffraction. It crystallizes in the cubic space group P213 (\#198), Z = 4, a = 9.2563(16) {\AA}, V = 793.1(2) {\AA}3. Final residual factors of the refined structure model R/Rw were 0.0367/0.0941. The cations Na+ and Co2+ are both octahedrally coordinated. [NaO6] and [CoO6] share edges to form channels propagating along [1,-1, -1] with the [H2PO2] pseudo-pyramids adjusted inside the channels to the above mentioned octahedra. The IR and Raman spectroscopic studies show the expected bands of the hypophosphite anion. NaCo(H2PO2)3 did not show any electrochemical activity under the electrochemical test conditions (2.4-4.5 V vs. Na/Na+).",

keywords = "Batterie-test, Crystal structure, Hypophosphite, Raman spectroscopy",

author = "\{El Bali\}, Brahim and Mohammed Lachkar and Rachid Essehli and Michal Dusek and Jan Rohlicek and Nicoleta Mircescu and Christoph Haisch",

year = "2016",

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doi = "10.1016/j.molstruc.2016.06.022",

language = "English",

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TY - JOUR

T1 - NaCo(H2PO2)3

T2 - Crystal structure and physical study

AU - El Bali, Brahim

AU - Lachkar, Mohammed

AU - Essehli, Rachid

AU - Dusek, Michal

AU - Rohlicek, Jan

AU - Mircescu, Nicoleta

AU - Haisch, Christoph

PY - 2016/11/5

Y1 - 2016/11/5

N2 - NaCo(H2PO2)3 was synthesized in solution and its structure was studied by single-crystal X-ray diffraction. It crystallizes in the cubic space group P213 (#198), Z = 4, a = 9.2563(16) Å, V = 793.1(2) Å3. Final residual factors of the refined structure model R/Rw were 0.0367/0.0941. The cations Na+ and Co2+ are both octahedrally coordinated. [NaO6] and [CoO6] share edges to form channels propagating along [1,-1, -1] with the [H2PO2] pseudo-pyramids adjusted inside the channels to the above mentioned octahedra. The IR and Raman spectroscopic studies show the expected bands of the hypophosphite anion. NaCo(H2PO2)3 did not show any electrochemical activity under the electrochemical test conditions (2.4-4.5 V vs. Na/Na+).

AB - NaCo(H2PO2)3 was synthesized in solution and its structure was studied by single-crystal X-ray diffraction. It crystallizes in the cubic space group P213 (#198), Z = 4, a = 9.2563(16) Å, V = 793.1(2) Å3. Final residual factors of the refined structure model R/Rw were 0.0367/0.0941. The cations Na+ and Co2+ are both octahedrally coordinated. [NaO6] and [CoO6] share edges to form channels propagating along [1,-1, -1] with the [H2PO2] pseudo-pyramids adjusted inside the channels to the above mentioned octahedra. The IR and Raman spectroscopic studies show the expected bands of the hypophosphite anion. NaCo(H2PO2)3 did not show any electrochemical activity under the electrochemical test conditions (2.4-4.5 V vs. Na/Na+).

KW - Batterie-test

KW - Crystal structure

KW - Hypophosphite

KW - Raman spectroscopy

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DO - 10.1016/j.molstruc.2016.06.022

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SP - 30

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JO - Journal of Molecular Structure

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