Journalartikel

Autorenliste: El-Bali, B; Boukhari, A; Aride, J; Maaß, K; Wald, D; Glaum, R; Abraham, F

Jahr der Veröffentlichung: 2001

Seiten: 669-676

Zeitschrift: Solid State Sciences

Bandnummer: 3

Heftnummer: 6

ISSN: 1293-2558

eISSN: 1873-3085

DOI Link: https://doi.org/10.1016/S1293-2558(01)01176-1

Verlag: Elsevier

Abstract: 
The crystal structures of SrNiP2O7 (1) and SrNi3(P2O7)(2) (II) have been refined from single crystal data [(I): P2(1)/n, Z = 4. a = 5.2630(16), b = 8.2605(10), c = 12.6018(15) Angstrom, beta = 90.224(19)degrees, 101 parameters, 1143 independent reflections, R/wR(2) = 0.029/0.070; (II): P2(1)/c, Z = 2, a = 7.4092(9), b = 7.6594(8), c = 9.4474(10) Angstrom, beta = 112.216(9)degrees, 104 parameters, 1484 independent reflections, R/wR(2) = 0.027/0.063]. SrNiP2O7 belongs to the alpha -Ca2P2O7 structure family with Ni2+ ions occupying isolated square-pyramidal sites, (d) over bar (Ni-O) = 2.032 Angstrom. SrNi3(P2O7)(2) is isostructural to AM(3)(P2O7)(2) (A = Ca, Ph and M = Fe, Co, Ni). Two crystallographic ally independent, slightly distorted [NiO6] octahedra ((d) over bar (Ni-O) = 2.083 Angstrom) share edges, thus for-Ming chains along the b-axis (d(Ni-Ni) = 3.143 and 3.226 Angstrom). 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 Ni-O interaction are derived. The shift in d-electron energies of Ni2+ caused by the change in coordination from [NiO5] (C-4v) to [NiO6] (O-h) is reproduced nicely by the model calculations. (C) 2001 Editions scientifiques et medicales Elsevier,SAS. All rights reserved.

Harvard-Zitierstil: El-Bali, B., Boukhari, A., Aride, J., Maaß, K., Wald, D., Glaum, R., et al. (2001) Crystal structure and colour of SrNiP2O7 and SrNi3(P2O7)2, Solid State Sciences, 3(6), pp. 669-676. https://doi.org/10.1016/S1293-2558(01)01176-1

APA-Zitierstil: El-Bali, B., Boukhari, A., Aride, J., Maaß, K., Wald, D., Glaum, R., & Abraham, F. (2001). Crystal structure and colour of SrNiP2O7 and SrNi3(P2O7)2. Solid State Sciences. 3(6), 669-676. https://doi.org/10.1016/S1293-2558(01)01176-1