Crystal structure and colour of SrNiP2O7 and SrNi3(P2O7)2
Identifieur interne : 000A85 ( Main/Exploration ); précédent : 000A84; suivant : 000A86Crystal structure and colour of SrNiP2O7 and SrNi3(P2O7)2
Auteurs : Brahim El-Bali [Maroc] ; Ali Boukhari [Maroc] ; Jilali Aride [Maroc] ; Kai Maa [Allemagne] ; Dieter Wald [Allemagne] ; Robert Glaum [Allemagne] ; Francis Abraham [France]Source :
- Solid State Sciences [ 1293-2558 ] ; 2001.
Descripteurs français
- Pascal (Inist)
- 6166F, Couleur, Diffraction RX, Etude expérimentale, Méthode recouvrement angulaire, Ni O P Sr, Nickel Diphosphate, Phosphate, Polyèdre coordination, Relation structure propriété, Spectre IR proche, Spectre UV visible, Spectre réflexion, SrNi3P2O7, SrNiP2O7, Strontium Diphosphate, Structure cristalline, Structure électronique.
- Wicri :
- topic : Phosphate.
English descriptors
- KwdEn :
- Angular overlap method, Angular overlap model, Color, Coordination polyhedron, Crystal structure, Electronic spectra, Electronic structure, Experimental study, Near infrared spectrum, Nickel Pyrophosphates, Nickel phosphates, Phosphates, Property structure relationship, Reflection spectrum, Strontium Pyrophosphates, Ultraviolet visible spectrum, XRD.
Abstract
The crystal structures of SrNiP2O7 (I) and SrNi3(P2O7)2 (II) have been refined from single crystal data [(I): P21/n, Z=4, a=5.2630(16), b=8.2605(10), c=12.6018(15) Å, β=90.224(19)°, 101 parameters, 1143 independent reflections, R/wR2=0.029/0.070; (II): P21/c, Z=2, a=7.4092(9), b=7.6594(8), c=9.4474(10) Å, β=112.216(9)°, 104 parameters, 1484 independent reflections, R/wR2=0.027/0.063]. SrNiP2O7 belongs to the α-Ca2P2O7 structure family with Ni2+ ions occupying isolated square-pyramidal sites, d(Ni O) = 2.032 Å. SrNi3(P2O7)2 is isostructural to AM3(P2O7)2 (A = Ca, Pb and M = Fe, Co, Ni). Two crystallographically independent, slightly distorted [NiO6] octahedra (d(NiO) = 2.083 Å) share edges, thus forming chains along the b-axis (d(NiNi) = 3.143 and 3.226 Å). The colours of SrNiP2O7 (orange-red) and SrNi3(P2O7)2 (greenish-yellow) are significantly different. Reflectance spectra in the UV/VIS/NIR region are reported for SrNiP2O7, SrNi3(P2O7)2, and the isotypic diphosphates CaNi3(P2O7)2 and BaNi3(P2O7)2. Angular overlap parameters for the NiO interaction are derived. The shift in d-electron energies of Ni2+ caused by the change in coordination from [NiO5] (C4v) to [NiO6] (Oh) is reproduced nicely by the model calculations.
Url:
DOI: 10.1016/S1293-2558(01)01176-1
Affiliations:
- Allemagne, France, Maroc
- District de Cologne, Hauts-de-France, Nord-Pas-de-Calais, Rabat-Salé-Kénitra, Rhénanie-du-Nord-Westphalie
- Bonn, Rabat, Villeneuve d'Ascq
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Le document en format XML
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(II): P21/c, Z=2, a=7.4092(9), b=7.6594(8), c=9.4474(10) Å, β=112.216(9)°, 104 parameters, 1484 independent reflections, R/wR2=0.027/0.063]. SrNiP2O7 belongs to the α-Ca2P2O7 structure family with Ni2+ ions occupying isolated square-pyramidal sites, d(Ni O) = 2.032 Å. SrNi3(P2O7)2 is isostructural to AM3(P2O7)2 (A = Ca, Pb and M = Fe, Co, Ni). Two crystallographically independent, slightly distorted [NiO6] octahedra (d(NiO) = 2.083 Å) share edges, thus forming chains along the b-axis (d(NiNi) = 3.143 and 3.226 Å). The colours of SrNiP2O7 (orange-red) and SrNi3(P2O7)2 (greenish-yellow) are significantly different. Reflectance spectra in the UV/VIS/NIR region are reported for SrNiP2O7, SrNi3(P2O7)2, and the isotypic diphosphates CaNi3(P2O7)2 and BaNi3(P2O7)2. Angular overlap parameters for the NiO interaction are derived. The shift in d-electron energies of Ni2+ caused by the change in coordination from [NiO5] (C4v) to [NiO6] (Oh) is reproduced nicely by the model calculations.</div></front></TEI><affiliations><list><country><li>Allemagne</li><li>France</li><li>Maroc</li></country><region><li>District de Cologne</li><li>Hauts-de-France</li><li>Nord-Pas-de-Calais</li><li>Rabat-Salé-Kénitra</li><li>Rhénanie-du-Nord-Westphalie</li></region><settlement><li>Bonn</li><li>Rabat</li><li>Villeneuve d'Ascq</li></settlement></list><tree><country name="Maroc"><noRegion><name sortKey="El Bali, Brahim" sort="El Bali, Brahim" uniqKey="El Bali B" first="Brahim" last="El-Bali">Brahim El-Bali</name></noRegion><name sortKey="Aride, Jilali" sort="Aride, Jilali" uniqKey="Aride J" first="Jilali" last="Aride">Jilali Aride</name><name sortKey="Boukhari, Ali" sort="Boukhari, Ali" uniqKey="Boukhari A" first="Ali" last="Boukhari">Ali Boukhari</name></country><country name="Allemagne"><noRegion><name sortKey="Maa, Kai" sort="Maa, Kai" uniqKey="Maa K" first="Kai" last="Maa">Kai Maa</name></noRegion><name sortKey="Glaum, Robert" sort="Glaum, Robert" uniqKey="Glaum R" first="Robert" last="Glaum">Robert Glaum</name><name sortKey="Glaum, Robert" sort="Glaum, Robert" uniqKey="Glaum R" first="Robert" last="Glaum">Robert Glaum</name><name sortKey="Wald, Dieter" sort="Wald, Dieter" uniqKey="Wald D" first="Dieter" last="Wald">Dieter Wald</name></country><country name="France"><region name="Hauts-de-France"><name sortKey="Abraham, Francis" sort="Abraham, Francis" uniqKey="Abraham F" first="Francis" last="Abraham">Francis Abraham</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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