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Structure of the metastable cubic B-1 phase of the La2Mo2O9 single crystal

机译：La2Mo2O9单晶的亚稳立方B-1相的结构

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The structure of the metastable B-1 phase of the La2Mo2O9 single crystal is investigated using X-ray diffraction. It is established that the crystal structure of the compound under investigation is described by the cubic unit cell with the parameter a = 7.158(5) A..., which makes it possible to index approximately 84% of the reflections measured for this single crystal. The structure of the metastable cubic B-1 phase is characterized by a local lowering of the symmetry for the La and Mo atoms, which are displaced from their positions on the threefold axis, thus forming three sites around it with an occupancy of 0.333(2). The O(1) atom in the structure of the metastable cubic B-1 phase remains in the 4a position on the threefold axis but occupies it by only 86%. The O(2) and O(3) atoms located in a general position occupy their own sites with occupancies of 0.77(2) and 0.35(2), respectively. The final R factor of the refinement of this structural model is 2.52%.
机译：使用X射线衍射研究了La2Mo2O9单晶的亚稳B-1相的结构。可以确定，所研究化合物的晶体结构由参数为a = 7.158（5）A ...的立方晶胞描述，这使得可以为该单晶测量出约84％的反射指数。亚稳立方B-1相的结构特征是La和Mo原子的对称性局部降低，它们从三重轴上的位置移开，从而在其周围形成三个位点，占据率为0.333（2） ）。在亚稳态立方B-1相结构中的O（1）原子在三重轴上保持在4a位置，但仅占86％。位于一般位置的O（2）和O（3）原子占据各自的位置，占有率分别为0.77（2）和0.35（2）。优化此结构模型的最终R因子为2.52％。

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