几种硫酸盐矿物晶体结构中化学键的理论计算

Theoretical Calculation on Chemical Bond of Some Sulfate Minerals Crystal Structure

对三种硫酸盐矿物重晶石、天青石和石膏晶体结构中化学键的特征进行理论计算。结果表明,Mn+-O2-平均键长、静电价强度、库仑力、离子键百分数、离子键极性、键合强度以及平均键价之间具有很好的一致性。

The chemical bonds of crystal structure of sulfate minerals, i.e. barite, celestite and gypsum are Theor, eticaUy calculated. There is a consistency in the average bond length, electrostatic valence strength, coulomb force, electrovalent bond rate and polarity, bonding intensity and average bond valence of M^n＋ - O^2- bond.