Crystal structure of TbNiSiD1.78

被引：20

作者：

Brinks, HW ^{[1
]}

Yartys, VA ^{[1
]}

Hauback, BC ^{[1
]}

机构：

[1] Inst Energy Technol, N-2027 Kjeller, Norway

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2001年 / 322卷 / 1-2期

关键词：

powder neutron diffraction; synchrotron radiation; crystal structure; hydrides;

D O I：

10.1016/S0925-8388(01)01013-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A hydride of TbNiSi has been synthesized and studied by neutron and synchrotron X-ray diffraction. TbNiSiD1.78 (space group P6(3)/mmc, a = 4.03078(10) Angstrom, c = 7.97563(11) Angstrom) takes the ZrBeSi-type structure with D in 4f sites (1/3, 2/3, 0.0466(3)), surrounded by Tb3Ni in tetrahedral coordination. The metal atoms of TbNiSiD1.78 occupy 2a, 2c and 2d sites, respectively. Each D-filled Tb3Ni tetrahedron shares three edges (via Tb-To bonds) and one corner (via Ni) with equivalent Tb,Ni tetrahedra. During deuteration a displacive transition of the metal lattice take place, which increases the symmetry from orthorhombic (TiNiSi-type structure) to hexagonal. TbNiSiD1.78 has the geometry of an AA stacking of close-packed Tb layers. The same transition has earlier been observed for LaNiSn deuteride. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：160 / 165

页数：6

共 14 条

[1] FORMATION AND CRYSTAL-STRUCTURE OF THNI2DX [J].