“李时珍石”晶格振动光谱计算  

Calculation of The Vibrational Spectroseopy of Lishizhenite

作　　者：曾维杨 毛叔其[1] 毛延哲[1] 

机构地区：[1]兰州大学物理系,兰州医学院

出　　处：《光散射学报》1995年第2期81-82,共2页The Journal of Light Scattering

摘　　要：“李时珍石”晶格振动光谱计算曾维杨，毛叔其，毛延哲（兰州大学物理系兰州７３００００）ＣａｌｃｕｌａｔｉｏｎｏｆＴｈｅＶｉｂｒａｔｉｏｎａｌＳｐｅｃｔｒｏｓｅｏｐｙｏｆＬｉｓｈｉｚｈｅｎｉｔｅ￥Ｗｅｉｙａｎｇ；Ｚｅｎｇｓｈｕｑｉ；ＭａｏａｎｄＹａｎｚｈ...Abstract Lishizhenite， a new deposit of Sulpheate， has the molecular formula ZnFe_2 （SO_4））_4814H_2O. The single arystal of this minenal shows light violet in corlur at room temperature， belongs to triclinic cystem with space group P1 and Z＝1． In this paper， a simple force constant model is applied to the vibra tions of the crystal． The caleulation has been focused on the lower frequencies of the vibrations by omitting the Hydrogen bond interactions in the crystal.This allows only 15 force constants involved， 9 of which are the internal inter-actions of the atomic groups （Zn-O，Fe-O，s-O）． The assingments of the Raman and infrared peaks of the compound are gaven based on the the calcula tion.

关 键 词：李时珍石 晶格振动 光谱计算 硫酸盐矿物 正则模式 拉曼光谱 红外光谱 

分 类 号：P578.7[天文地球—矿物学] O733.1[天文地球—地质学]