title: K5Mo4O14F: A Novel Fluorinated Polyoxomolybdate and Its Structural Stability.
abstract: We successfully synthesized a novel fluorinated polyoxomolybdate, K5Mo4O14F, in which the unusual polyanion [Mo4O14F](5-) consists of face-sharing [Mo2O8F] bioctahedra linked with [MoO4] tetrahedra. This unique structural feature provides the very rare case that simultaneously violates Pauling's electrostatic valence (II) and atomic coordination (IV) rules, as well as the stable tendency governed by the polyhedral sharing (III) rule. The structural stability of K5Mo4O14F was confirmed from thermal experiments over a wide temperature range and further elucidated by first-principles calculations.
authors.affiliation: †Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.|‡University of the Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
authors.forename: Pifu
authors.initials: P
authors.lastname: Gong
authors.affiliation: †Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
authors.forename: Siyang
authors.initials: S
authors.lastname: Luo
authors.affiliation: †Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.|‡University of the Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
authors.forename: Lei
authors.initials: L
authors.lastname: Kang
authors.affiliation: †Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.|‡University of the Chinese Academy of Sciences, Beijing 100049, People's Republic of China.
authors.forename: Xingxing
authors.initials: X
authors.lastname: Jiang
authors.affiliation: §Department of Physics, Renmin University of China, Beijing 100872, China.
authors.forename: Jing
authors.initials: J
authors.lastname: Xu
authors.affiliation: †Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
authors.forename: Guochun
authors.initials: G
authors.lastname: Zhang
authors.affiliation: †Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
authors.forename: Zheshuai
authors.initials: Z
authors.lastname: Lin
authors.affiliation: †Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
authors.forename: Yicheng
authors.initials: Y
authors.lastname: Wu
authors.affiliation: †Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
authors.forename: Chuangtian
authors.initials: C
authors.lastname: Chen