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)

The considered interstitial site of hydroxyl group in OH-topaz, interstitial oxygen site is equal to that of hydroxyl oxygen. (a) viewed along c axis; (b) viewed along b axis. Hydroxyl group occurs in the interspaces formed by four octahedrons and a tetrahedron.