Abstract Single crystals of Li2MoO4 and Li2W0.85Mo0.15O4, as perspective materials to search for neutrino-less double beta decay, have been grown by low-temperature-gradient Czochralski technique (LTG CZ). The standard formation enthalpies for single crystals of Li2MoO4 and Li2W0.85Mo0.15O4 have been determined by two methods: (i) solution calorimetry in KOH ( Δ f H 0 (Li2MoO4, s, 298.15 K) = −(1521.9 ± 1.9) kJ mol−1) and (ii) high-temperature reaction calorimetry in sodium molybdate melt (3Na2O · 4MoO3) ( Δ f H 0 (Li2MoO4, s, 298.15 K) = −(1529.1 ± 7.3) kJ mol−1; Δ f H 0 (Li2W0.85Mo0.15O4, s, 298.15 K) = −(1597.8 ± 4.3) kJ mol−1). The measured solution enthalpies of Li2CO3, MoO3, WO3, Li2MoO4, Li2W0.85Mo0.15O4 in 3Na2O · 4MoO3 melt and solution enthalpies of Li2CO3, MoO3, Li2MoO4 in KOH have been used to calculate Δ f H 0 . The thermodynamic stability of A2MoO4 (A = Li, Na, K, Rb, Cs) with respect to simple oxides mixture has been determined. It has been found that the relative thermodynamic stability is increased from Li2MoO4 up to Cs2MoO4. This fact seems to be important from practical point of view. The lattice enthalpies for A2MoO4 compounds have been calculated using the Born-Haber cycle. The dependences of lattice enthalpies for A2MoO4 on structural parameters have been constructed, which allow one to predict the thermodynamics for compounds not investigated.

中文翻译：

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Li2MoO4、Li2W0.85Mo0.15O4单晶的热力学特性及碱金属钼酸盐的稳定性方向

摘要 Li2MoO4 和 Li2W0.85Mo0.15O4 单晶作为寻找无中微子双β衰变的透视材料，已通过低温梯度直拉技术（LTG CZ）生长。Li2MoO4 和 Li2W0.85Mo0.15O4 单晶的标准形成焓已通过两种方法测定：(i) KOH 溶液量热法 (Δ f H 0 (Li2MoO4, s, 298.15 K) = -(1521.9 ± 1.9) kJ mol−1) 和 (ii) 钼酸钠熔体 (3Na2O · 4MoO3) 中的高温反应量热法 ( Δ f H 0 (Li2MoO4, s, 298.15 K) = -(1529.1 ± 7.3) kJ mol−1; Δ f H 0 (Li2W0.85Mo0.15O4, s, 298.15 K) = -(1597.8 ± 4.3) kJ mol-1)。Li2CO3、MoO3、WO3、Li2MoO4、Li2W0.85Mo0.15O4 在 3Na2O·4MoO3 熔体中的测量溶液焓和 Li2CO3、MoO3、Li2MoO4 在 KOH 中的溶液焓已用于计算 Δf H 0 。已确定 A2MoO4（A = Li、Na、K、Rb、Cs）相对于简单氧化物混合物的热力学稳定性。已经发现，相对热力学稳定性从 Li2MoO4 增加到 Cs2MoO4。从实践的角度来看，这一事实似乎很重要。A2MoO4 化合物的晶格焓已使用 Born-Haber 循环计算。已经构建了 A2MoO4 的晶格焓对结构参数的依赖性，这使得人们可以预测未研究的化合物的热力学。A2MoO4 化合物的晶格焓已使用 Born-Haber 循环计算。已经构建了 A2MoO4 的晶格焓对结构参数的依赖性，这使得人们可以预测未研究的化合物的热力学。A2MoO4 化合物的晶格焓已使用 Born-Haber 循环计算。已经构建了 A2MoO4 的晶格焓对结构参数的依赖性，这使得人们可以预测未研究的化合物的热力学。