采用高温固相合成了一种新的类Sr2Be2B2O7族化合物KCaZn2(BO3)2F,利用粉末X射线衍射精修其晶体结构.该晶体同KCdZn2(BO3) 2F同构,为三方晶系,空间群为P31c,单胞参数为a=5.03096(5)A,c=15.3940(2)A,Z=2.晶体基本阴离子基元是平面三角形的BO3和四面体的ZnO3F基元,两个基元通过共顶的O原子相连,在ab平面形成二维的十二元环的(Zn3B3O6 F3)∞结构.(Zn3B3O6F3)∞结构通过F原子连接,形成(Zr6B6O12F3)∞双层单元,双层单元之内的两层BO3基元排列方式基本相反.(Zn6B6O12F3)∞双层单元与同它中心对称的另一个(Zn6B6O12F3)∞双层单元在c方向堆垛成三维的结构,K+和Ca2+分别位于(Zn6B6O12F3)∞双层单元的层内和层间空隙处.紫外可见漫反射光谱表明该晶体在400～2500 nm范围具有高的透过率,晶体的紫外截止波长为235 nm.
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