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Title: Synthesis, structure, and physicochemical investigations of the new {alpha} Cu{sub 0.50}TiO(PO{sub 4}) oxyphosphate

Abstract

The room-temperature crystal structure of a new Cu(II) oxyphosphate-{alpha} Cu{sub 0.50} {sup II}TiO(PO{sub 4})-was determined from X-ray single crystals diffraction data, in the monoclinic system, space group P2{sub 1}/c. The refinement from 5561 independent reflections lead to the following parameters: a=7.5612(4)A, b=7.0919(4)A, c=7.4874(4)A, {beta}=122.25(1){sup o}, Z=4, with the final R=0.0198, wR=0.0510. The structure of {alpha} Cu{sub 0.50} {sup II}TiO(PO{sub 4}) can be described as a TiOPO{sub 4} framework constituted by chains of tilted corner-sharing [TiO{sub 6}] octahedra running parallel to the c-axis and cross linked by phosphate [PO{sub 4}] tetrahedra, where one-half of octahedral cavities created are occupied by Cu atoms. Ti atoms are displaced from the center of octahedra units in alternating long (2.308 A) and short (1.722 A) Ti-O(1) bonds along chains. Such O(1) atoms not linked to P atoms justify the oxyphosphate formulation {alpha} Cu{sub 0.50}TiO(PO{sub 4}). The divalent cations Cu{sup 2+} occupy a Jahn-Teller distorted octahedron sharing two faces with two [TiO{sub 6}] octahedra. EPR and optical measurements are in good agreement with structural data. The X-ray diffraction results are supported by Raman and infrared spectroscopy studies that confirmed the existence of the infinite chains -Ti-O-Ti-O-Ti-. {alpha} Cu{sub 0.50}TiO(PO{sub 4}) shows a Curie-Weiss paramagnetic behavior inmore » the temperature range 4-80 K. - Graphical abstract: Projection of the structure of {alpha} Cu{sub 0.50}TiO(PO{sub 4}) along the a-axis.« less

Authors:
 [1];  [1];  [2];  [2];  [2];  [2];  [3];  [4]
  1. Laboratoire de Chimie des Materiaux Solides (LCMS), Universite Hassan II Mohammedia, Faculte des Sciences Ben M'Sik, Casablanca (Morocco)
  2. Institut de Chimie de la Matiere Condensee de Bordeaux (ICMCB-CNRS), Universite de Bordeaux1, 33608 Pessac (France)
  3. CRPAA, UMR 5060, Universite Bordeaux, 33607-CNRS Pessac (France)
  4. Department of Chemistry, University of Pretoria, 0002 Pretoria (South Africa)
Publication Date:
OSTI Identifier:
21015709
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 180; Journal Issue: 2; Other Information: DOI: 10.1016/j.jssc.2006.10.040; PII: S0022-4596(06)00570-6; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTROSCOPY; COPPER COMPOUNDS; COPPER IONS; ELECTRON SPIN RESONANCE; INFRARED SPECTRA; JAHN-TELLER EFFECT; MONOCLINIC LATTICES; MONOCRYSTALS; PARAMAGNETISM; PHOSPHATES; SPACE GROUPS; SYNTHESIS; TEMPERATURE RANGE 0273-0400 K; TITANIUM COMPOUNDS; X-RAY DIFFRACTION

Citation Formats

Benmokhtar, S, Belmal, H, El Jazouli, A., Chaminade, J P, Gravereau, P, Pechev, S, Grenier, J C, Villeneuve, G, and Waal, D de. Synthesis, structure, and physicochemical investigations of the new {alpha} Cu{sub 0.50}TiO(PO{sub 4}) oxyphosphate. United States: N. p., 2007. Web. doi:10.1016/j.jssc.2006.10.040.
Benmokhtar, S, Belmal, H, El Jazouli, A., Chaminade, J P, Gravereau, P, Pechev, S, Grenier, J C, Villeneuve, G, & Waal, D de. Synthesis, structure, and physicochemical investigations of the new {alpha} Cu{sub 0.50}TiO(PO{sub 4}) oxyphosphate. United States. https://doi.org/10.1016/j.jssc.2006.10.040
Benmokhtar, S, Belmal, H, El Jazouli, A., Chaminade, J P, Gravereau, P, Pechev, S, Grenier, J C, Villeneuve, G, and Waal, D de. 2007. "Synthesis, structure, and physicochemical investigations of the new {alpha} Cu{sub 0.50}TiO(PO{sub 4}) oxyphosphate". United States. https://doi.org/10.1016/j.jssc.2006.10.040.
@article{osti_21015709,
title = {Synthesis, structure, and physicochemical investigations of the new {alpha} Cu{sub 0.50}TiO(PO{sub 4}) oxyphosphate},
author = {Benmokhtar, S and Belmal, H and El Jazouli, A. and Chaminade, J P and Gravereau, P and Pechev, S and Grenier, J C and Villeneuve, G and Waal, D de},
abstractNote = {The room-temperature crystal structure of a new Cu(II) oxyphosphate-{alpha} Cu{sub 0.50} {sup II}TiO(PO{sub 4})-was determined from X-ray single crystals diffraction data, in the monoclinic system, space group P2{sub 1}/c. The refinement from 5561 independent reflections lead to the following parameters: a=7.5612(4)A, b=7.0919(4)A, c=7.4874(4)A, {beta}=122.25(1){sup o}, Z=4, with the final R=0.0198, wR=0.0510. The structure of {alpha} Cu{sub 0.50} {sup II}TiO(PO{sub 4}) can be described as a TiOPO{sub 4} framework constituted by chains of tilted corner-sharing [TiO{sub 6}] octahedra running parallel to the c-axis and cross linked by phosphate [PO{sub 4}] tetrahedra, where one-half of octahedral cavities created are occupied by Cu atoms. Ti atoms are displaced from the center of octahedra units in alternating long (2.308 A) and short (1.722 A) Ti-O(1) bonds along chains. Such O(1) atoms not linked to P atoms justify the oxyphosphate formulation {alpha} Cu{sub 0.50}TiO(PO{sub 4}). The divalent cations Cu{sup 2+} occupy a Jahn-Teller distorted octahedron sharing two faces with two [TiO{sub 6}] octahedra. EPR and optical measurements are in good agreement with structural data. The X-ray diffraction results are supported by Raman and infrared spectroscopy studies that confirmed the existence of the infinite chains -Ti-O-Ti-O-Ti-. {alpha} Cu{sub 0.50}TiO(PO{sub 4}) shows a Curie-Weiss paramagnetic behavior in the temperature range 4-80 K. - Graphical abstract: Projection of the structure of {alpha} Cu{sub 0.50}TiO(PO{sub 4}) along the a-axis.},
doi = {10.1016/j.jssc.2006.10.040},
url = {https://www.osti.gov/biblio/21015709}, journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 2,
volume = 180,
place = {United States},
year = {Thu Feb 15 00:00:00 EST 2007},
month = {Thu Feb 15 00:00:00 EST 2007}
}