本文应用RASA-ⅡS型自动四圆单晶衍射仪,对沂蒙矿收集了独立的749个衍射强度。用RASA-SAP解析系统及XTL结晶学程序求得了晶体中各原子的坐标、温度因子、占有度,并计算了各原子的间距和键角。结构修正后的偏离因子R=0.080。通过结构测定,搞清了高压条件下一价碱金属离子K等的配位形式,测定了一种Fe的五次配位形式——Fe—O正三方双锥配位多面体,并对金伯利岩中Cr,Ti等元素的地球化学行为提供了一些新的认识。 In this paper, RASA-ⅡS automatic four-circular single crystal diffractometer, Yimeng mine collected 749 independent diffraction intensity. Using RASA-SAP analytical system and XTL crystallography program, the coordinates, temperature factor and occupancy of each atom in the crystal were calculated, and the pitch and bond angle of each atom were calculated. The structure-corrected deviation factor R = 0.080. Through the structure determination, the coordination form of monovalent alkali metal ions K and the like under high pressure was clarified, and the fifth coordination form of Fe - Fe-O tricomponent bipyridine coordination polyhedron was determined. In Cr, Ti and other elements of the geochemical behavior provides some new understanding.