Source of materialSingle crystals were grownb yt he micro-pulling-down method (m-PDm ethod) [9]. Thes tartingm aterials, LiF, KF,a nd YF 3 powders (>4 N purity), were mixed in the ratio LiF:KF:YF 3 = 1.1:1.1:1.0 and then placed in ac arbon crucible having ah ole with ad iameter of 2m matt he bottom.T he crucible was positioned at the center of ahigh-frequency induction coil in avacuum-tight chamber. After baking at 300°C under high vacuum (under 10 -2 Pa) to remove the adsorbed water and oxygen from the starting material, crystal growth was performed in ahigh-purity CF 4 /Ar mixture at agrowth speed of approximately 6mm/h usingPtwireasaseed. The obtained crystal specimens were cylindrical, with alengthand diameterofabout 40 mm and2mm, respectively.
DiscussionAstudy on Nd:LiKYF 5 for low-threshold laser applications was reported by aRussian group [1,2]. Photoluminescence spectroscopy andsingle-crystalX-ray diffraction measurements revealed that asingle site for Nd was created in the host structure prepared by theh ydrothermalm ethod (H-type).H owever, the optical properties of thecrystal sample prepared by theCzochralski (CZ) method suggested that there was equal probability of Nd occupying two different sites [3][4][5][6]. Arelevant study demonstrated the locals tructuralfeatures around the Ys ites in order to clear the controversy around thesefindings [7].Morerecently, ourgroup developed Nd:LiKYF 5 crystal to be used as apossible scintillator material showing 5d-4f luminescence in the ultraviolet region [8]. The LiKYF 5 crystal prepared from the high-temperature melt by themicro-pulling-down method(m-PD) [9]was isotypic to that prepared by the CZ method. This paper reports the structure of LiKYF 5 prepared from the high-temperature melt (M-type).Local structural units of KF 9 ,YF 8 ,and LiF 4 are formed in the M-type structure. As shown in Fig. 1, the structure is composed of alayer of YF 8 polyhedra linked by [LiF 4 ]tetrahedra. [Li1F 4 ]produce a chainstructure similar to that in the H-type structure. The Li1-F distances and F-Li1-F angles range from 1.842 (6)