Hydrothermal Synthesis and Structural Characterization of a New Lead Tri-magnesium Phosphate PbMg3(HPO4)(PO4)2

IF 0.6 4区化学 Q4 CRYSTALLOGRAPHY

Journal of Chemical Crystallography Pub Date : 2025-08-13 DOI:10.1007/s10870-025-01056-3

Ahmed Ould Saleck, Cyrille Albert-Mercier, Claudine Follet-Houttemane, Abderrazzak Assani, Mohamed Saadi, Lahcen El Ammari

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Abstract

A new lead tri-magnesium phosphate PbMg₃(HPO₄)(PO₄)₂ was synthesized by hydrothermal method and characterized by single crystal X-ray diffraction. This phosphate crystallizes in the monoclinic system with space group I2/m and unit cell parameters a = 6.6403(2)Å, b = 13.1169(5) Å, c = 10.7153(4) Å and β = 90.194 (1)°. The structure consists of two edge-sharing [MgO₆] octahedra linked to [PO₄] or [HPO₄] tetrahedra to build [Mg₂P₂O₁₄] and [Mg₂H₂P₂O₁₄] moieties, which are interconnected together through vertices to form a sheet parallel to (1 0 0) plan. In addition, an infinite chain ([MgPO₉]_∞) formed by the sharing of a vertex between the [MgO₆] octahedron and the [PO₄] tetrahedron ensures the connection of the sheets to form a three-dimensional structure containing tunnels parallel to the b and c axes. The Pb²⁺ and H⁺ cations are located in disordered sites in these tunnels. The structure of this phosphate exhibits also a strong hydrogen bond.

Graphical Abstract

(A) and (C) Polyhedral representation of the structure showing the tunnels along the [010] and [001] directions that house Pb and H atoms. The dashed lines in the tunnels of (C) represent the hydrogen bond O1–H1…O1ⁱ. (B) Infinite chain [MgPO₉]_∞ formed by alternating [MgO₆] octahedra and [PO₄] tetrahedra, which connect the layers stacked along the c-axis.

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新型磷酸铅三镁PbMg3(HPO4)(PO4)2的水热合成及结构表征

采用水热法制备了一种新型磷酸铅三镁PbMg3(HPO4)(PO4)2，并用单晶x射线衍射对其进行了表征。该磷酸盐在单斜晶系中结晶，空间群为I2/m，晶胞参数为a = 6.6403(2)Å， b = 13.1169(5) Å， c = 10.7153(4) Å， β = 90.194(1)°。该结构由两个边共享的[MgO6]八面体连接到[PO4]或[HPO4]四面体组成[Mg2P2O14]和[Mg2H2P2O14]部分，它们通过顶点连接在一起，形成平行于（1 0 0）平面的薄片。此外，由[MgO6]八面体和[PO4]四面体共享一个顶点而形成的无限链（[MgPO9]∞）保证了薄片之间的连接，形成一个包含平行于b轴和c轴的隧道的三维结构。Pb2+和H+阳离子位于这些隧道中的无序位置。这种磷酸盐的结构也表现出很强的氢键。图形摘要(A)和(C)多面体结构表示，显示沿[010]和[001]方向的隧道，其中容纳了Pb和H原子。(C)隧道中的虚线表示氢键O1-H1…O1i。(B)由[MgO6]八面体和[PO4]四面体交替形成的无限链[MgPO9]∞，连接沿c轴堆叠的层。

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来源期刊

Journal of Chemical Crystallography 化学-光谱学

CiteScore

1.50

自引率

12.50%

发文量

审稿时长

6.3 months

期刊介绍： Journal of Chemical Crystallography is an international and interdisciplinary publication dedicated to the rapid dissemination of research results in the general areas of crystallography and spectroscopy. Timely research reports detail topics in crystal chemistry and physics and their relation to problems of molecular structure; structural studies of solids, liquids, gases, and solutions involving spectroscopic, spectrometric, X-ray, and electron and neutron diffraction; and theoretical studies.