Sodium carbonate revisited

被引:73
作者
Dusek, M
Chapuis, G
Meyer, M
Petricek, V
机构
[1] Acad Sci Czech Republ, Inst Phys, Prague 18221, Czech Republic
[2] Univ Lausanne, Inst Cristallog, BSP Dorigny, CH-1015 Lausanne, Switzerland
来源
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 2003年 / 59卷
关键词
D O I
10.1107/S0108768103009017
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We present the structure of anhydrous sodium carbonate at room temperature ( phase gamma) and 110 K ( phase delta) based on single-crystal X-ray diffraction data. The incommensurate phase gamma was determined almost 30 years ago in the harmonic approximation using one modulation wave and first-order satellites. In our work we use satellites up to fifth order and additional harmonic waves to model the anharmonic features of the structure. The commensurate phase delta is presented for the first time. Using the superspace approach, both phases are compared in order to find common trends in the whole range of the sodium carbonate phases. We present arguments supporting the hypothesis that the driving force of the phase transitions may originate in the unsaturated bonding potential of one of the Na ions.
引用
收藏
页码:337 / 352
页数:16
相关论文
共 20 条
[1]  
Aalst W. van, 1976, ACTA CRYSTALLOGR B, V32, P47
[2]   Modulated structures of Cs2HgCl4:: the 5a superstructure at 185 K and the 3c superstructure at 176 K [J].
Bagautdinov, B ;
Pilz, K ;
Ludecke, J ;
van Smaalen, S .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1999, 55 :886-895
[3]   ANAMALY IN CRYSTAL STRUCTURE OF NA2CO3 [J].
BROUNS, E ;
VISSER, JW .
ACTA CRYSTALLOGRAPHICA, 1964, 17 (05) :614-&
[4]   BOND-VALENCE PARAMETERS OBTAINED FROM A SYSTEMATIC ANALYSIS OF THE INORGANIC CRYSTAL-STRUCTURE DATABASE [J].
BROWN, ID ;
ALTERMATT, D .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1985, 41 (AUG) :244-247
[5]   A SUPERSPACE APPROACH TO THE STRUCTURE AND MORPHOLOGY OF TETRAMETHYLAMMONIUM TETRACHLOROZINCATE, 2C4H12N+.ZNCL42- [J].
DAM, B ;
JANNER, A .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1986, 42 :69-77
[6]   INCOMMENSURATE STRUCTURAL PHASE-TRANSFORMATION IN NA2CO3 [J].
DEPATER, CJ ;
HELMHOLDT, RB .
PHYSICAL REVIEW B, 1979, 19 (11) :5735-5745
[7]   PSEUDO-SYMMETRY OF MODULATED CRYSTAL-STRUCTURES [J].
DEWOLFF, PM .
ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (NOV1) :777-785
[8]  
DEWOLFF PM, 1986, INCOMMENSURATE PHASE, V2, P253
[9]   Incommensurate versus commensurate description of the AxBX3 hexagonal perovskite-type structure.: Sr1.2872NiO3 incommensurate composite compound example [J].
Evain, M ;
Boucher, F ;
Gourdon, O ;
Petricek, V ;
Dusek, M ;
Bezdicka, P .
CHEMISTRY OF MATERIALS, 1998, 10 (10) :3068-3076
[10]   THE INCOMMENSURATE PHASE OF SODIUM-CARBONATE - AN INFRARED-ABSORPTION STUDY [J].
HARRIS, MJ ;
SALJE, EKH .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1992, 4 (18) :4399-4408