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Crystal structure of alluaudite-type NaMg3(HPO4)2(PO4).

Ould Saleck A, Assani A, Saadi M, Mercier C, Follet C, El Ammari L - Acta Crystallogr E Crystallogr Commun (2015)

Bottom Line: The three-dimensional framework delimits two different types of channels extending along [001].One channel hosts the Na(+) cations (site symmetry 2) surrounded by eight O atoms, with Na-O bond lengths varying between 2.2974 (13) and 2.922 (2) Å.The OH group of the HPO4 tetra-hedron points into the other type of channel and exhibits a strong hydrogen bond to an O atom of the PO4 tetra-hedron on the opposite side.

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Affiliation: Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat, Morocco ; Laboratoire des Matériaux Céramiques et Procédés Associés, EA2443, Université de Valenciennes et du Hainaut-Cambrésis, Boulevard Charles de Gaulle, BP 59600, Maubeuge, France.

ABSTRACT
The title compound, sodium trimagnesium bis-(hydrogen phosphate) phosphate, was obtained under hydro-thermal conditions. In the crystal, two types of [MgO6] octa-hedra, one with point group symmetry 2, share edges to build chains extending parallel to [10-1]. These chains are linked together by two kinds of phosphate tetra-hedra, HPO4 and PO4, the latter with point group symmetry 2. The three-dimensional framework delimits two different types of channels extending along [001]. One channel hosts the Na(+) cations (site symmetry 2) surrounded by eight O atoms, with Na-O bond lengths varying between 2.2974 (13) and 2.922 (2) Å. The OH group of the HPO4 tetra-hedron points into the other type of channel and exhibits a strong hydrogen bond to an O atom of the PO4 tetra-hedron on the opposite side.

No MeSH data available.


The principal building units in the structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are indicated by dashed lines [Symmetry codes: (i) x + , y + , z; (ii) −x + , y + , −z + ; (iii) −x + , −y + , −z + 1; (iv) −x + , −y + , −z; (v) −x + 1, −y + 1, −z; (vi) −x + 1, y, −z + ; (vii) x, −y + 1, z + ; (viii) x − , −y + , z − ; (ix) −x + 2, y, −z + ; (x) −x + 2, −y + 1, −z + 1; (xi) x + , −y + , z + ; (xii) −x + , −y + , −z + 1; (xiii) x, −y + 1, z − .]
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fig1: The principal building units in the structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are indicated by dashed lines [Symmetry codes: (i) x + , y + , z; (ii) −x + , y + , −z + ; (iii) −x + , −y + , −z + 1; (iv) −x + , −y + , −z; (v) −x + 1, −y + 1, −z; (vi) −x + 1, y, −z + ; (vii) x, −y + 1, z + ; (viii) x − , −y + , z − ; (ix) −x + 2, y, −z + ; (x) −x + 2, −y + 1, −z + 1; (xi) x + , −y + , z + ; (xii) −x + , −y + , −z + 1; (xiii) x, −y + 1, z − .]

Mentions: The principal building units of the allaudite structure of the title compound are represented in Fig. 1 ▸. The three atoms Mg1, Na1 and P1 are located on a twofold rotation axis (Wyckoff position 4e). Selected inter­atomic distances are compiled in Table 1 ▸. The three-dimensional framework of this structure consists of kinked chains of edge-sharing MgO6 octa­hedra running parallel to [10]. The chains are held together by regular P1O4 phosphate groups, forming sheets perpendicular to [010], as shown in Fig. 2 ▸. The stacked sheets delimit two types of channels along [001]. One of the channels is occupied by Na+ cations surrounded by eight oxygen atoms (Table 1 ▸), whereas the second channel contains the hydrogen atoms of the HP2O4 tetra­hedra, as shown in Fig. 3 ▸. They form strong hydrogen bonds (Table 2 ▸, Figs. 1 ▸ and 3 ▸) with one of the oxygen atoms of PO4 tetra­hedra on opposite sides.


Crystal structure of alluaudite-type NaMg3(HPO4)2(PO4).

Ould Saleck A, Assani A, Saadi M, Mercier C, Follet C, El Ammari L - Acta Crystallogr E Crystallogr Commun (2015)

The principal building units in the structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are indicated by dashed lines [Symmetry codes: (i) x + , y + , z; (ii) −x + , y + , −z + ; (iii) −x + , −y + , −z + 1; (iv) −x + , −y + , −z; (v) −x + 1, −y + 1, −z; (vi) −x + 1, y, −z + ; (vii) x, −y + 1, z + ; (viii) x − , −y + , z − ; (ix) −x + 2, y, −z + ; (x) −x + 2, −y + 1, −z + 1; (xi) x + , −y + , z + ; (xii) −x + , −y + , −z + 1; (xiii) x, −y + 1, z − .]
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fig1: The principal building units in the structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bonds are indicated by dashed lines [Symmetry codes: (i) x + , y + , z; (ii) −x + , y + , −z + ; (iii) −x + , −y + , −z + 1; (iv) −x + , −y + , −z; (v) −x + 1, −y + 1, −z; (vi) −x + 1, y, −z + ; (vii) x, −y + 1, z + ; (viii) x − , −y + , z − ; (ix) −x + 2, y, −z + ; (x) −x + 2, −y + 1, −z + 1; (xi) x + , −y + , z + ; (xii) −x + , −y + , −z + 1; (xiii) x, −y + 1, z − .]
Mentions: The principal building units of the allaudite structure of the title compound are represented in Fig. 1 ▸. The three atoms Mg1, Na1 and P1 are located on a twofold rotation axis (Wyckoff position 4e). Selected inter­atomic distances are compiled in Table 1 ▸. The three-dimensional framework of this structure consists of kinked chains of edge-sharing MgO6 octa­hedra running parallel to [10]. The chains are held together by regular P1O4 phosphate groups, forming sheets perpendicular to [010], as shown in Fig. 2 ▸. The stacked sheets delimit two types of channels along [001]. One of the channels is occupied by Na+ cations surrounded by eight oxygen atoms (Table 1 ▸), whereas the second channel contains the hydrogen atoms of the HP2O4 tetra­hedra, as shown in Fig. 3 ▸. They form strong hydrogen bonds (Table 2 ▸, Figs. 1 ▸ and 3 ▸) with one of the oxygen atoms of PO4 tetra­hedra on opposite sides.

Bottom Line: The three-dimensional framework delimits two different types of channels extending along [001].One channel hosts the Na(+) cations (site symmetry 2) surrounded by eight O atoms, with Na-O bond lengths varying between 2.2974 (13) and 2.922 (2) Å.The OH group of the HPO4 tetra-hedron points into the other type of channel and exhibits a strong hydrogen bond to an O atom of the PO4 tetra-hedron on the opposite side.

View Article: PubMed Central - HTML - PubMed

Affiliation: Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V, Avenue Ibn Battouta, BP 1014, Rabat, Morocco ; Laboratoire des Matériaux Céramiques et Procédés Associés, EA2443, Université de Valenciennes et du Hainaut-Cambrésis, Boulevard Charles de Gaulle, BP 59600, Maubeuge, France.

ABSTRACT
The title compound, sodium trimagnesium bis-(hydrogen phosphate) phosphate, was obtained under hydro-thermal conditions. In the crystal, two types of [MgO6] octa-hedra, one with point group symmetry 2, share edges to build chains extending parallel to [10-1]. These chains are linked together by two kinds of phosphate tetra-hedra, HPO4 and PO4, the latter with point group symmetry 2. The three-dimensional framework delimits two different types of channels extending along [001]. One channel hosts the Na(+) cations (site symmetry 2) surrounded by eight O atoms, with Na-O bond lengths varying between 2.2974 (13) and 2.922 (2) Å. The OH group of the HPO4 tetra-hedron points into the other type of channel and exhibits a strong hydrogen bond to an O atom of the PO4 tetra-hedron on the opposite side.

No MeSH data available.