The Co2Al9 structure type revisited

被引：56

作者：

Boström, M ^{[1
]}

Rosner, H ^{[1
]}

Prots, Y ^{[1
]}

Burkhardt, U ^{[1
]}

Grin, Y ^{[1
]}

机构：

[1] Care Of Prof Dr Yuri Grin, Max Planck Inst Chem Phys Fester Stoffe, D-01187 Dresden, Germany

来源：

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE | 2005年 / 631卷 / 2-3期

关键词：

intermetallic compounds; crystal structure; chemical bonding;

D O I：

10.1002/zaac.200400418

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The centrosymmetric structure Of Co2Al9 (space group P2(1)/c, Pearson symbol mP22), the isotypic structures of Rh2Al9 and Ir2Al9 and the slightly distorted acentric structures of Rh2Ga9 and Ir2Ga9 (space group Pc) were reinvestigated from single crystal X-ray diffraction data. The structure of Rh2Ga9 represents a new structure type. The difference between the aluminides and the gallides originates in the details of atomic interactions investigated by the electron localization function and band structure calculations.

引用

页码：534 / 541

页数：8

共 25 条

[1] LINEAR METHODS IN BAND THEORY [J].

ANDERSEN, OK .

PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083

[2]

Bader R, 1999, ATOMS MOL QUANTUM TH

[3] EXTINCTION WITHIN LIMIT OF VALIDITY OF DARWIN TRANSFER EQUATIONS .1. GENERAL FORMALISMS FOR PRIMARY AND SECONDARY EXTINCTION AND THEIR APPLICATION TO SPHERICAL CRYSTALS [J].

BECKER, PJ ;

COPPENS, P .

ACTA CRYSTALLOGRAPHICA SECTION A, 1974, A 30 (MAR) :129-147

[4] Preparation and crystal structure of the novel decagonal approximant Mn123Ga137 [J].

Boström, M ;

Hovmöller, S .

JOURNAL OF ALLOYS AND COMPOUNDS, 2001, 314 (1-2) :154-159

[5] THE STRUCTURE OF CO2AL9 [J].

DOUGLAS, AMB .

ACTA CRYSTALLOGRAPHICA, 1950, 3 (01) :19-24

[6] CRYSTAL STRUCTURE OF RH2GA9 AND IR2 GA9 [J].

EDSHAMMA.LE .

ACTA CHEMICA SCANDINAVICA, 1970, 24 (04) :1457-&

[7] CRYSTAL STRUCTURE OF RH2AL9 AND IR2AL9 [J].

EDSHAMMAR, LE .

ACTA CHEMICA SCANDINAVICA, 1968, 22 (09) :2822-+

[8]

Eschrig H, 1989, OPTIMIZED LCAO METHO

[9] ON ENANTIOMORPH-POLARITY ESTIMATION [J].

FLACK, HD .

ACTA CRYSTALLOGRAPHICA SECTION A, 1983, 39 (NOV) :876-881

[10] The analysis of ''empty space'' in the PdGa5 structure [J].

Grin, Y ;

Wedig, U ;

Wagner, F ;

vonSchnering, HG ;

Savin, A .

JOURNAL OF ALLOYS AND COMPOUNDS, 1997, 255 (1-2) :203-208

← 1 2 3 →