Two new structurally related cesium manganese vanadates have been synthesized by a high-temperature (580 °C) hydrothermal synthetic method utilizing halide brine mineralizers. Both structures Cs6Mn(H2O)2(VO3)8 (I) and Cs5KMn(H2O)2(VO3)8 (II) are isostructural crystallizing in the tetragonal space group P4/mnc. The first structure, Cs6Mn(H2O)2(VO3)8 (I) has unit cell dimensions of a = 13.6830(4) Å, c = 8.6476(3) Å and the second structure, Cs5KMn(H2O)2(VO3)8 (II), has unit cell dimensions of a = 13.5015(4) Å, c = 8.5372(3) Å. The structures are built from a manganese vanadate chain, which consists of [Mn(H2O)2O4] units that are coordinated to one another by a unique sinusoidal vanadate chain, (VO3)n. Both structures have well-ordered alkali metal atoms, with the potassium atoms of II exhibiting preferential site occupancy. Both compounds were characterized by single crystal X-ray diffraction and infrared spectroscopy, to identify the characteristic O–H and V–O modes.Graphical AbstractCrystals of Cs6Mn(H2O)2(VO3)8 and Cs5KMn(H2O)2(VO3)8 were synthesized from hydrothermal brines and their structures determined by single crystal X-ray diffraction, revealing preferential, ordered site substitution of the alkali metals.

中文翻译：

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Cs6Mn(H2O)2(VO3)8 和 Cs5KMn(H2O)2(VO3)8 的晶体结构和优先占位

利用卤化物盐水矿化剂，通过高温 (580 °C) 水热合成方法合成了两种结构相关的钒酸铯锰。Cs6Mn(H2O)2(VO3)8 (I) 和 Cs5KMn(H2O)2(VO3)8 (II) 两种结构都是在四方空间群 P4/mnc 中同构结晶。第一种结构 Cs6Mn(H2O)2(VO3)8 (I) 的晶胞尺寸为 a = 13.6830(4) Å，c = 8.6476(3) Å，第二种结构 Cs5KMn(H2O)2(VO3)8 (II) 的晶胞尺寸为 a = 13.5015(4) Å，c = 8.5372(3) Å。这些结构由钒酸锰链构成，该链由 [Mn(H2O)2O4] 单元组成，这些单元通过独特的正弦钒酸盐链 (VO3)n 相互协调。两种结构都具有有序的碱金属原子，II 的钾原子表现出优先占位。