Atomistic simulation of topaz: Structure, defect, and vibrational properties

Niu Ji-Nan†^a),^b), Shen Shai-Shai^b), Liu Zhang-Sheng^b), Feng Pei-Zhong^b), Ou Xue-Mei^b), Qiang Ying-Huai^b), Zhu Zhen-Cai^a)

Lattice constants ( a (a), b (b), and c (c)) of different F contents and their fit curves, and some experimental values for comparison.