混成軌域理論為價鍵理論(valence bond theory,VBT )的一支。有下列幾種混成軌域種類:
- sp混成(s+pz 或s-pz):ex:BeH2
- sp2混成(s+px+py):三角平面(trigonal planar),夾角120度,ex:BF3
- sp3混成(s+px+py+pz):四面體,夾角109.5度,ex:CH4
- dsp2混成(d+sp2=d+sp2=dx2-y2+px+py):四方平面,ex :PtCl42-
- dsp3混成1(d+sp3=dz2+s+px+py+pz):四角錐
- dsp3混成2(dp+sp2=dz2+pz+s+px+py):三角雙錐(trigonal bipyramid)
- d2sp3混成(dz2+dx2-y2+s+px+py+pz):正八面體
- d3sp3混成:五角雙錐體(pentagonal bipyramid)