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Study of the crystal structures of sodium magnesium and sodium nickel diphosphates

Identifieur interne : 000422 ( PascalFrancis/Checkpoint ); précédent : 000421; suivant : 000423

Study of the crystal structures of sodium magnesium and sodium nickel diphosphates

Auteurs : F. Erragh [Maroc] ; A. Boukhari [Maroc] ; F. Abraham [France] ; B. Elouadi [France]

Source :

RBID : Pascal:00-0465869

Descripteurs français

English descriptors

Abstract

Single-crystal X-ray crystallography studies have shown that diphosphates Na3,64Mg2.18(P2O7)2 and Na3.64Ni2.18(P2O7)2 crystallize with the same structural type and the same space group P1. Their triclinic lattice parameters are equal to a = 10.901 (2), b = 9.765 (2), c = 6.382 (1) Å, α = 112.43 (1)°, β = 99.64 (1)°, γ = 107.53 (1)°, Z = 2 and a = 10.889 (5), b = 9.705 (4), c = 6.358 (4) A, α = 112.46 (4)°, β = 99.92 (4)°, y = 107.54 (4)°, Z = 2, respectively. The structure could be regarded as a packing of diphosphate groups [P2O7]4- and [MO6] octahedra (M = Mg, Ni) delimiting cavities and tunnels which host sodium cations. The tunnels are running along [001]. The structure is characterized by mixed (Na, M) sites with an occupation factor ratio equal to ca. 0.82/0.18. Sodium cations are located in five different sites: two cavities (one penta- and the other octa-coordinated) totally occupied and three octahedral interstices, which are partially filled by Na(3), Na(4), and Na(5) according to the respective occupation factors of 0.15, 0.42, and 0.25 for Na3.64Mg2.18(P2O7)2 and 0.13, 0.40, and 0.29 in the case of Na3.64Ni2.18(P2O7)2.


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Pascal:00-0465869

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<sZ>3 aut.</sZ>
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<region type="region" nuts="2">Hauts-de-France</region>
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<title level="j" type="main">Journal of solid state chemistry</title>
<title level="j" type="abbreviated">J. solid state chem.</title>
<idno type="ISSN">0022-4596</idno>
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<term>Channel structure</term>
<term>Crystal structure</term>
<term>Experimental study</term>
<term>Magnesium Pyrophosphates</term>
<term>Nickel Pyrophosphates</term>
<term>Sodium Pyrophosphates</term>
<term>XRD</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr">
<term>Etude expérimentale</term>
<term>Diffraction RX</term>
<term>Structure cristalline</term>
<term>Structure tunnel</term>
<term>Sodium Diphosphate</term>
<term>Magnésium Diphosphate</term>
<term>Nickel Diphosphate</term>
<term>6166F</term>
<term>Na3,64Mg2,18(P2O7)2</term>
<term>Mg Na O P</term>
<term>Na3,64Ni2,18(P2O7)2</term>
<term>Na Ni O P</term>
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<front>
<div type="abstract" xml:lang="en">Single-crystal X-ray crystallography studies have shown that diphosphates Na
<sub>3,64</sub>
Mg
<sub>2.18</sub>
(P
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
and Na
<sub>3.64</sub>
Ni
<sub>2.18</sub>
(P
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
crystallize with the same structural type and the same space group P1. Their triclinic lattice parameters are equal to a = 10.901 (2), b = 9.765 (2), c = 6.382 (1) Å, α = 112.43 (1)°, β = 99.64 (1)°, γ = 107.53 (1)°, Z = 2 and a = 10.889 (5), b = 9.705 (4), c = 6.358 (4) A, α = 112.46 (4)°, β = 99.92 (4)°, y = 107.54 (4)°, Z = 2, respectively. The structure could be regarded as a packing of diphosphate groups [P
<sub>2</sub>
O
<sub>7</sub>
]
<sup>4-</sup>
and [MO
<sub>6</sub>
] octahedra (M = Mg, Ni) delimiting cavities and tunnels which host sodium cations. The tunnels are running along [001]. The structure is characterized by mixed (Na, M) sites with an occupation factor ratio equal to ca. 0.82/0.18. Sodium cations are located in five different sites: two cavities (one penta- and the other octa-coordinated) totally occupied and three octahedral interstices, which are partially filled by Na(3), Na(4), and Na(5) according to the respective occupation factors of 0.15, 0.42, and 0.25 for Na
<sub>3.64</sub>
Mg
<sub>2.18</sub>
(P
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
and 0.13, 0.40, and 0.29 in the case of Na
<sub>3.64</sub>
Ni
<sub>2.18</sub>
(P
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
.</div>
</front>
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<s3>MAR</s3>
<sZ>1 aut.</sZ>
<sZ>2 aut.</sZ>
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<s2>El Jadida</s2>
<s3>MAR</s3>
<sZ>1 aut.</sZ>
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<s1>Laboratoire de Cristallochimie et Physicochimie du Solide, URPRES A CNRS 8012 Université de Lille I, ENSCL, B.P. 108</s1>
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<s3>FRA</s3>
<sZ>3 aut.</sZ>
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<s3>FRA</s3>
<sZ>4 aut.</sZ>
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<s0>Single-crystal X-ray crystallography studies have shown that diphosphates Na
<sub>3,64</sub>
Mg
<sub>2.18</sub>
(P
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
and Na
<sub>3.64</sub>
Ni
<sub>2.18</sub>
(P
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
crystallize with the same structural type and the same space group P1. Their triclinic lattice parameters are equal to a = 10.901 (2), b = 9.765 (2), c = 6.382 (1) Å, α = 112.43 (1)°, β = 99.64 (1)°, γ = 107.53 (1)°, Z = 2 and a = 10.889 (5), b = 9.705 (4), c = 6.358 (4) A, α = 112.46 (4)°, β = 99.92 (4)°, y = 107.54 (4)°, Z = 2, respectively. The structure could be regarded as a packing of diphosphate groups [P
<sub>2</sub>
O
<sub>7</sub>
]
<sup>4-</sup>
and [MO
<sub>6</sub>
] octahedra (M = Mg, Ni) delimiting cavities and tunnels which host sodium cations. The tunnels are running along [001]. The structure is characterized by mixed (Na, M) sites with an occupation factor ratio equal to ca. 0.82/0.18. Sodium cations are located in five different sites: two cavities (one penta- and the other octa-coordinated) totally occupied and three octahedral interstices, which are partially filled by Na(3), Na(4), and Na(5) according to the respective occupation factors of 0.15, 0.42, and 0.25 for Na
<sub>3.64</sub>
Mg
<sub>2.18</sub>
(P
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
and 0.13, 0.40, and 0.29 in the case of Na
<sub>3.64</sub>
Ni
<sub>2.18</sub>
(P
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
.</s0>
</fC01>
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<s0>001B60A66F4</s0>
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<s5>01</s5>
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<s5>01</s5>
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<s5>02</s5>
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<s0>XRD</s0>
<s5>02</s5>
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<s0>Structure cristalline</s0>
<s5>03</s5>
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<s0>Crystal structure</s0>
<s5>03</s5>
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<s0>Structure tunnel</s0>
<s5>05</s5>
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<s0>Channel structure</s0>
<s5>05</s5>
</fC03>
<fC03 i1="04" i2="X" l="SPA">
<s0>Estructura túnel</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="3" l="FRE">
<s0>Sodium Diphosphate</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>07</s5>
</fC03>
<fC03 i1="05" i2="3" l="ENG">
<s0>Sodium Pyrophosphates</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>07</s5>
</fC03>
<fC03 i1="06" i2="3" l="FRE">
<s0>Magnésium Diphosphate</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>08</s5>
</fC03>
<fC03 i1="06" i2="3" l="ENG">
<s0>Magnesium Pyrophosphates</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>08</s5>
</fC03>
<fC03 i1="07" i2="3" l="FRE">
<s0>Nickel Diphosphate</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>09</s5>
</fC03>
<fC03 i1="07" i2="3" l="ENG">
<s0>Nickel Pyrophosphates</s0>
<s2>NC</s2>
<s2>NA</s2>
<s5>09</s5>
</fC03>
<fC03 i1="08" i2="3" l="FRE">
<s0>6166F</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>56</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE">
<s0>Na3,64Mg2,18(P2O7)2</s0>
<s4>INC</s4>
<s5>92</s5>
</fC03>
<fC03 i1="10" i2="3" l="FRE">
<s0>Mg Na O P</s0>
<s4>INC</s4>
<s5>93</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE">
<s0>Na3,64Ni2,18(P2O7)2</s0>
<s4>INC</s4>
<s5>94</s5>
</fC03>
<fC03 i1="12" i2="3" l="FRE">
<s0>Na Ni O P</s0>
<s4>INC</s4>
<s5>95</s5>
</fC03>
<fC07 i1="01" i2="3" l="FRE">
<s0>Composé minéral</s0>
<s5>04</s5>
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<s0>Inorganic compounds</s0>
<s5>04</s5>
</fC07>
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<s0>Métal transition composé</s0>
<s5>06</s5>
</fC07>
<fC07 i1="02" i2="3" l="ENG">
<s0>Transition element compounds</s0>
<s5>06</s5>
</fC07>
<fN21>
<s1>311</s1>
</fN21>
</pA>
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<list>
<country>
<li>France</li>
<li>Maroc</li>
</country>
<region>
<li>Hauts-de-France</li>
<li>Nord-Pas-de-Calais</li>
<li>Nouvelle-Aquitaine</li>
<li>Poitou-Charentes</li>
<li>Rabat-Salé-Kénitra</li>
</region>
<settlement>
<li>La Rochelle</li>
<li>Rabat</li>
<li>Villeneuve d'Ascq</li>
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<name sortKey="Boukhari, A" sort="Boukhari, A" uniqKey="Boukhari A" first="A." last="Boukhari">A. Boukhari</name>
<name sortKey="Erragh, F" sort="Erragh, F" uniqKey="Erragh F" first="F." last="Erragh">F. Erragh</name>
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<country name="France">
<region name="Hauts-de-France">
<name sortKey="Abraham, F" sort="Abraham, F" uniqKey="Abraham F" first="F." last="Abraham">F. Abraham</name>
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<name sortKey="Elouadi, B" sort="Elouadi, B" uniqKey="Elouadi B" first="B." last="Elouadi">B. Elouadi</name>
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   |wiki=    Wicri/Terre
   |area=    NickelMaghrebV1
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   |clé=     Pascal:00-0465869
   |texte=   Study of the crystal structures of sodium magnesium and sodium nickel diphosphates
}}

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