On measuring the size of distortions in coordination polyhedra

被引:25
作者
Brown, I. David [1 ]
机构
[1] McMaster Univ, Brockhouse Inst Mat Res, Hamilton, ON L8S 4M1, Canada
关键词
Organic polymers;
D O I
10.1107/S010876810601322X
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
There is no unique index that measures the size of the distortion found in a coordination polyhedron because different indices can result in a different ordering depending on the mode of the distortion (i. e. the third and higher moments of the bond-length distribution). This paper proposes the increase in the average bond length as a suitable index as this is directly related to the increase in volume of the coordination polyhedron and hence of the unit cell. Some examples are discussed.
引用
收藏
页码:692 / 694
页数:3
相关论文
共 11 条
[1]   New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design [J].
Belsky, A ;
Hellenbrandt, M ;
Karen, VL ;
Luksch, P .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 :364-369
[2]  
Brown I.D., 2002, CHEM BOND INORGANIC
[3]   Thermal expansion of chemical bonds [J].
Brown, ID ;
Dabkowski, A ;
McCleary, A .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1997, 53 :750-761
[4]   METHOD OF DETERMINING DISTORTION OF COORDINATION POLYHEDRA [J].
DOLLASE, WA .
ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (JUL1) :513-517
[5]   Aqua(2,2′-bi-1H-imidazole)chlorocopper(II) chloro(iminodiacetato)copper(II) monohydrate [J].
Gao, XL ;
Wei, YB ;
Li, YP ;
Yang, P .
ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY, 2005, 61 :M10-M12
[6]   DETERMINATION OF MOLYBDENUM OXYGEN BOND DISTANCES AND BOND ORDERS BY RAMAN-SPECTROSCOPY [J].
HARDCASTLE, FD ;
WACHS, IE .
JOURNAL OF RAMAN SPECTROSCOPY, 1990, 21 (10) :683-691
[7]   EFFECTIVE COORDINATION NUMBERS (ECON) AND MEAN FICTIVE IONIC-RADII (MEFIR) [J].
HOPPE, R .
ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1979, 150 (1-4) :23-52
[8]   Shannon information as a measure of distortion in coordination polyhedra [J].
Lalik, E .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2005, 38 :152-157
[9]   LOW-SYMMETRICAL COORDINATION POLYHEDRA PSEUDOSYMMETRY AND IDEALIZATION [J].
LUEKEN, H ;
ELSENHANS, U ;
STAMM, U .
ACTA CRYSTALLOGRAPHICA SECTION A, 1987, 43 :187-194
[10]   New measure of distortion for coordination polyhedra [J].
Makovicky, E ;
Balic-Zunic, T .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1998, 54 :766-773