Synthesis, crystal structure and infrared spectroscopy of a new non-centrosymmetric mixed-anion phosphate Na4Mg3(PO4)2(P2O7)

Rachid Essehli, Brahim El Bali, Said Benmokhtar, Hartmut Fuess, Ingrid Svoboda, Said Obbade

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

The new mixed-anion phosphate Na4Mg3(PO4)2(P2O7) has been prepared and its structure has been determined by single crystal X-ray diffraction. The crystal structure was refined to R = 0.0290 (wR = 0.0836) for 1527 independent reflexions. This compound crystallizes in the orthorhombic non-centrosymmetric space group Pn21a with a = 17.985(2) Å, b = 6.525(9) Å, c = 10.511(1) Å, and Z = 4. The framework is built up from [PO4] tetrahedra, [P2O7] groups and [MgO6] octahedra. The three dimensional structure consists of [Mg3P2O13] infinite layers parallel to the bc plane. The layers are built up from [MgO6] octahedra and [PO4] tetrahedral, they are connected along the a axis by O-P-O-P-O bridges of the diphosphate groups. Large tunnels extending along the three main crystallographic directions host four crystallographically distinct sodium cations. The infrared spectrum of Na4Mg3(PO4)2(P2O7) is interpreted on the basis of P2O7 4- and PO4 3- vibrations. The appearance of νsP-O-P in the spectrum suggests a bent P-O-P bridge for the P2O7 4- ions in the compound, which is in agreement with the X-ray data.

Original languageEnglish
Pages (from-to)654-660
Number of pages7
JournalJournal of Alloys and Compounds
Volume493
Issue number1-2
DOIs
Publication statusPublished - 18 Mar 2010
Externally publishedYes

Fingerprint

Anions
Infrared spectroscopy
Phosphates
Negative ions
Crystal structure
Diphosphates
Cations
Tunnels
Positive ions
Sodium
Single crystals
Ions
Infrared radiation
X ray diffraction
X rays

Keywords

  • Crystal structure
  • Infrared
  • Mixed anions phosphate
  • X-rays

ASJC Scopus subject areas

  • Mechanical Engineering
  • Mechanics of Materials
  • Materials Chemistry
  • Metals and Alloys

Cite this

Synthesis, crystal structure and infrared spectroscopy of a new non-centrosymmetric mixed-anion phosphate Na4Mg3(PO4)2(P2O7). / Essehli, Rachid; El Bali, Brahim; Benmokhtar, Said; Fuess, Hartmut; Svoboda, Ingrid; Obbade, Said.

In: Journal of Alloys and Compounds, Vol. 493, No. 1-2, 18.03.2010, p. 654-660.

Research output: Contribution to journalArticle

Essehli, Rachid ; El Bali, Brahim ; Benmokhtar, Said ; Fuess, Hartmut ; Svoboda, Ingrid ; Obbade, Said. / Synthesis, crystal structure and infrared spectroscopy of a new non-centrosymmetric mixed-anion phosphate Na4Mg3(PO4)2(P2O7). In: Journal of Alloys and Compounds. 2010 ; Vol. 493, No. 1-2. pp. 654-660.
@article{bb45d4cf234d46cf8f5658fdb96fc9cc,
title = "Synthesis, crystal structure and infrared spectroscopy of a new non-centrosymmetric mixed-anion phosphate Na4Mg3(PO4)2(P2O7)",
abstract = "The new mixed-anion phosphate Na4Mg3(PO4)2(P2O7) has been prepared and its structure has been determined by single crystal X-ray diffraction. The crystal structure was refined to R = 0.0290 (wR = 0.0836) for 1527 independent reflexions. This compound crystallizes in the orthorhombic non-centrosymmetric space group Pn21a with a = 17.985(2) {\AA}, b = 6.525(9) {\AA}, c = 10.511(1) {\AA}, and Z = 4. The framework is built up from [PO4] tetrahedra, [P2O7] groups and [MgO6] octahedra. The three dimensional structure consists of [Mg3P2O13]∞ infinite layers parallel to the bc plane. The layers are built up from [MgO6] octahedra and [PO4] tetrahedral, they are connected along the a axis by O-P-O-P-O bridges of the diphosphate groups. Large tunnels extending along the three main crystallographic directions host four crystallographically distinct sodium cations. The infrared spectrum of Na4Mg3(PO4)2(P2O7) is interpreted on the basis of P2O7 4- and PO4 3- vibrations. The appearance of νsP-O-P in the spectrum suggests a bent P-O-P bridge for the P2O7 4- ions in the compound, which is in agreement with the X-ray data.",
keywords = "Crystal structure, Infrared, Mixed anions phosphate, X-rays",
author = "Rachid Essehli and {El Bali}, Brahim and Said Benmokhtar and Hartmut Fuess and Ingrid Svoboda and Said Obbade",
year = "2010",
month = "3",
day = "18",
doi = "10.1016/j.jallcom.2009.12.181",
language = "English",
volume = "493",
pages = "654--660",
journal = "Journal of Alloys and Compounds",
issn = "0925-8388",
publisher = "Elsevier BV",
number = "1-2",

}

TY - JOUR

T1 - Synthesis, crystal structure and infrared spectroscopy of a new non-centrosymmetric mixed-anion phosphate Na4Mg3(PO4)2(P2O7)

AU - Essehli, Rachid

AU - El Bali, Brahim

AU - Benmokhtar, Said

AU - Fuess, Hartmut

AU - Svoboda, Ingrid

AU - Obbade, Said

PY - 2010/3/18

Y1 - 2010/3/18

N2 - The new mixed-anion phosphate Na4Mg3(PO4)2(P2O7) has been prepared and its structure has been determined by single crystal X-ray diffraction. The crystal structure was refined to R = 0.0290 (wR = 0.0836) for 1527 independent reflexions. This compound crystallizes in the orthorhombic non-centrosymmetric space group Pn21a with a = 17.985(2) Å, b = 6.525(9) Å, c = 10.511(1) Å, and Z = 4. The framework is built up from [PO4] tetrahedra, [P2O7] groups and [MgO6] octahedra. The three dimensional structure consists of [Mg3P2O13]∞ infinite layers parallel to the bc plane. The layers are built up from [MgO6] octahedra and [PO4] tetrahedral, they are connected along the a axis by O-P-O-P-O bridges of the diphosphate groups. Large tunnels extending along the three main crystallographic directions host four crystallographically distinct sodium cations. The infrared spectrum of Na4Mg3(PO4)2(P2O7) is interpreted on the basis of P2O7 4- and PO4 3- vibrations. The appearance of νsP-O-P in the spectrum suggests a bent P-O-P bridge for the P2O7 4- ions in the compound, which is in agreement with the X-ray data.

AB - The new mixed-anion phosphate Na4Mg3(PO4)2(P2O7) has been prepared and its structure has been determined by single crystal X-ray diffraction. The crystal structure was refined to R = 0.0290 (wR = 0.0836) for 1527 independent reflexions. This compound crystallizes in the orthorhombic non-centrosymmetric space group Pn21a with a = 17.985(2) Å, b = 6.525(9) Å, c = 10.511(1) Å, and Z = 4. The framework is built up from [PO4] tetrahedra, [P2O7] groups and [MgO6] octahedra. The three dimensional structure consists of [Mg3P2O13]∞ infinite layers parallel to the bc plane. The layers are built up from [MgO6] octahedra and [PO4] tetrahedral, they are connected along the a axis by O-P-O-P-O bridges of the diphosphate groups. Large tunnels extending along the three main crystallographic directions host four crystallographically distinct sodium cations. The infrared spectrum of Na4Mg3(PO4)2(P2O7) is interpreted on the basis of P2O7 4- and PO4 3- vibrations. The appearance of νsP-O-P in the spectrum suggests a bent P-O-P bridge for the P2O7 4- ions in the compound, which is in agreement with the X-ray data.

KW - Crystal structure

KW - Infrared

KW - Mixed anions phosphate

KW - X-rays

UR - http://www.scopus.com/inward/record.url?scp=77249120055&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77249120055&partnerID=8YFLogxK

U2 - 10.1016/j.jallcom.2009.12.181

DO - 10.1016/j.jallcom.2009.12.181

M3 - Article

AN - SCOPUS:77249120055

VL - 493

SP - 654

EP - 660

JO - Journal of Alloys and Compounds

JF - Journal of Alloys and Compounds

SN - 0925-8388

IS - 1-2

ER -