Khmiyas Jamal, Benhsina Elhassan, Ouaatta Said, Assani Abderrazzak, Saadi Mohamed, El Ammari Lahcen
Laboratoire de Chimie Appliquée des Matériaux, Centre des Sciences des Matériaux, Faculty of Sciences, Mohammed V University in Rabat, Avenue Ibn Batouta, BP 1014, Rabat, Morocco.
Acta Crystallogr E Crystallogr Commun. 2020 Jan 10;76(Pt 2):186-191. doi: 10.1107/S2056989020000109. eCollection 2020 Feb 1.
Crystals of the new compound, AgSrCu(PO), were grown successfully by the hydro-thermal process. The asymmetric unit of the crystal structure of the title compound contains 40 independent atoms (4 Sr, 4.5 Cu, 1 Ag, 6 P and 24 O), which are all in general positions except for one Cu atom, which is located on an inversion centre. The Cu atoms are arranged in CuO ( = 4 or 5) polyhedra, linked through common oxygen corners to build a rigid three-dimensional motif. The connection of these copper units is assured by PO tetra-hedra. This arrangement allows the construction of layers extending parallel to the (100) plane and hosts suitable cavities in which Ag and Sr cations are located. The crystal-structure cohesion is ensured by ionic bonds between the silver and strontium cations and the oxygen anions belonging to two adjacent sheets. Charge-distribution analysis and bond-valence-sum calculations were used to validate the structural model.
通过水热法成功生长出了新化合物AgSrCu(PO)的晶体。标题化合物晶体结构的不对称单元包含40个独立原子（4个Sr、4.5个Cu、1个Ag、6个P和24个O），除了一个位于对称中心的Cu原子外，其余原子均处于一般位置。Cu原子排列在CuO （= 4或5）多面体中，通过共用氧角相连以构建一个刚性的三维结构单元。这些铜单元的连接由PO四面体确保。这种排列方式使得能够构建平行于(100)平面延伸的层，并容纳有Ag和Sr阳离子的合适空穴。银和锶阳离子与属于两个相邻片层的氧阴离子之间的离子键确保了晶体结构的凝聚性。使用电荷分布分析和键价和计算来验证结构模型。
