《Table 1 Crystallographic refinement parameters for BiIr4Se8using spacegroup C2/m (12) .Depositionnu

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《"新型hollandite结构化合物BiIr_4Se_8单晶的生长,结构与基本物性研究（英文）"》

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More than 0.25 g crystals can be obtained from 2.6g source materials，suggesting the efficiency of synthesis method.Rod-like crystals are about 0.5-1.5mm thick and can reach several millimeters in length.The ratio of reactants is adjustable.We find that the conditions of Se:Bi=5:6and Ir:（Se+Bi）<0.1are better for crystal growth.Results of EDS show the stoichiometric ratio Bi:Ir:Se≈1:4:8，reminding us of the recently reported PbIr4Se8[8].The content of Bi has some degree of inhomogeneity，indicating the disorder of Bi atoms（Figure 1）.The structure solution suggests a C2/m monoclinic cell，which is in consistence with the results of single crystal diffraction（a=16.1119，b=3.7265，c=11.2646，β=126.92°）.The crystallographic details from Rietveld refinement are included in Table 1.The composition is constrained as Bi∶Ir∶Se=1∶4∶8 for the refinement.Structure refinement for the single crystal data is not satisfactory，due to the strong absorption of X-ray，which is also revealed by the low counts of powder XRD in Figure 2（a）.Although no impurity peaks are found，the fit is visibly imperfect.This could be attributed to peak broadening and preferred orientation.As is commonly seen in hollandite structure，displacement of Bi and odd shape of grated crystals may both contribute to such imperfections[8，12].