| Title | Structure modulations in nonlinear optical (NLO) materials Cs2TB4O9 (T = Ge, Si) |
| Authors | Zhou, Zhengyang Xu, Xiang Fei, Rao Mao, Jianggao Sun, Junliang |
| Affiliation | Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China. Chongqing Univ, Coll Chem & Chem Engn, Chongqing 400044, Peoples R China. Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China. Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China. Mao, JG (reprint author), Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Peoples R China. |
| Keywords | incommensurate structure occupancy modulation nonlinear optics borates STRONG 2ND-HARMONIC GENERATION INCOMMENSURATE CRYSTAL PHASES ALKALINE BERYLLIUM BORATE INITIO STRUCTURE SOLUTION HYDROTHERMAL SYNTHESIS SUPERSPACE GROUPS ANIONIC GROUP SYMMETRY BOROGERMANATE BOROPHOSPHATES |
| Issue Date | 2016 |
| Publisher | ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS |
| Citation | ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS.2016,72,194-200. |
| Abstract | Incommensurately modulated borate structures of a new type were studied in detail in the nonlinear optical (NLO) materials Cs2TB4O9 (T = Ge, Si) using single-crystal X-ray diffraction techniques. The structures were solved by the charge-flipping algorithm in the superspace group I2(alpha beta 0)0. The refinement results strongly suggest that the main structure modulation feature of Cs2TB4O9 is the ordering of the O atoms. With these modulated structure models, the unreasonable B-O distances in the average structures were explained as the ordering of BO4 and BO3. |
| URI | http://hdl.handle.net/20.500.11897/434232 |
| ISSN | 2052-5206 |
| DOI | 10.1107/S2052520615019733 |
| Indexed | SCI(E) EI PubMed |
| Appears in Collections: | å å¦ä¸ å å å·¥ç¨ å¦é ¢ |
