An Orthorhombic Polymorph of Lanthanum Ultraphosphate LaP_5O_(14):Synthesis, Structure and Density F

• 作 者: 朱静 陈晖 王毓德 张硕 程文旦 管洪涛
• 机 构: Department of Material Science and Engineering,Yunnan University,State Key Laboratory of Structural
• 出 处: 结构化学
• 发表日期: 2011年05期
• 关键词: orthorhombic lanthanum structurally dielectric neighboring ribbon covalent anion

An orthorhombic polymorph of lanthanum ultraphosphate, LaP5O14, was firstly synthesized by the high temperature solid-state reaction and structurally characterized by single-crystal X-ray diffraction technique. It crystallizes in the orthorhombic Pmna space group with a=13.155(3), b=8.816(2), c=9.115(2) , V=1057.1(4) 3 and Z=4. The structure features (P5O14)3-anionic ribbons linked with neighboring LaO8 polyhedra. The title solid-state compound is an insulator. Theoretically calculated energy band structure, density of states (DOS), and optical response function by density function theory (DFT) for LaP5O14 were also performed.

An orthorhombic polymorph of lanthanum ultraphosphate, LaP5O14, was been synthesized by the high temperature solid-state reaction and structurally characterized by single-crystal X-ray diffraction technique. It crystallizes in the orthorhombic Pmna space group with a = 13.155 (3), b The structure features (P5O14) 3-anionic ribbons linked with neighboring LaO8 polyhedra. The title solid-state compound is an insulator. Theoretically calculated energy band structure, density of states (DOS), and optical response function by density function theory (DFT) for LaP5O14 were also performed.