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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Lithium tetra­chlorido­aluminate, LiAlCl4: a new polymorph (oP12, Pmn21) with Li+ in tetra­hedral inter­stices
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Lithium tetra­chlorido­aluminate, LiAlCl4: a new polymorph (oP12, Pmn21) with Li+ in tetra­hedral inter­stices

机译:四氯铝酸锂,LiAlCl4:在四面体间隙中具有Li +的新多晶型物(oP12,Pmn21)

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Dissolving lithium chloride and aluminium chloride in boiling para- or meta-xylene and keeping the colourless solution at room temperature led to crystal growth of a new modification of lithium tetra­chlorido­aluminate, LiAlCl4, which represents a second modification (oP12, Pmn21) of the ternary salt besides the long known monoclinic form [LiAlCl4(mP24, P21/c); Mairesse et al. (1977). Cryst. Struct. Commun. 6, 15–18]. The crystal structures of both modifications can be described as slightly distorted hexa­gonal closest packings of chloride anions. While the lithium cations in LiAlCl4(mP24) are in octa­hedral coordination and the aluminium and lithium ions in the solid of ortho­rhom­bic LiAlCl4 occupy tetra­hedral inter­stices with site symmetries m and 1, respectively, the lithium cation site being half-occupied (defect wurtz-stannite-type structure). From differential scanning calorimetry (DSC) measurements, no evidence for a phase transition of the ortho­rhom­bic modification is found until the material melts at 148 °C (Tpeak = 152 °C). The melting point is nearly identical to the literature data for LiAlCl4(mP24) [146 °C; Weppner & Huggins (1976). J. Electrochem. Soc. 124, 35–38]. From the melts of both polymorphs, the monoclinic modification recrystallizes.
机译:将氯化锂和氯化铝溶解在沸腾的对二甲苯或间二甲苯中,并将无色溶液保持在室温下,导致四氯化铝锂新修饰物LiAlCl4的晶体生长,这是三元盐的第二种修饰物(oP12,Pmn21)除了众所周知的单斜晶形式[LiAlCl4(mP24,P21 / c); Mairesse等。 (1977)。水晶结构。社区6、15-18]。两种修饰的晶体结构都可以描述为氯离子略微扭曲的六边形最紧密堆积。当LiAlCl4(mP24)中的锂阳离子处于八面体配位状态时,正交LiAlCl4固体中的铝和锂离子占据四面体间隙,其位点对称性分别为m和1,锂阳离子位点被半占据(纤锌矿-锡石)。型结构)。根据差示扫描量热法(DSC)测量,直到材料在148°C(Tpeak = 152°C)熔化之前,才发现正交晶变体的相变证据。熔点几乎与LiAlCl4(mP24)的文献数据相同[146°C; C(3)]。 Weppner&Huggins(1976)。 J.电化学。 Soc。 124,35–38]。从两种多晶型物的熔体中,单斜晶变体重结晶。

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