Zn5Sb4In2−δ— a Ternary Derivative of Thermoelectric Zinc Antimonides

A ternary derivative of Li3Bi with the composition Li3–x–y In x Bi (x ≃ 0.14, y ≃ 0.29) was produced by a mixed In+Bi flux approach. The crystal structure adopts the space group Fd\overline{3}m (No. 227), with a = 13.337 (4) Å, and can be viewed as a 2 × 2 × 2 superstructure of the parent Li3Bi phase, resulting from a partial ordering of Li and In in the tetrahedral voids of the Bi fcc packing. In addition to the Li/In substitutional disorder, partial occupation of some Li sites is observed. The Li deficiency develops to reduce the total electron count in the system, counteracting thereby the electron doping introduced by the In substitution. First-principles calculations confirm the electronic rationale of the observed disorder.

Download Full-text

Prediction of diffuse intensity surfaces in short-range-ordered ternary derivative structures based on SnS, NaCl, CsCl and other structures

Acta Crystallographica Section A ◽

10.1107/s0567739474000490 ◽

1974 ◽

Vol 30 (2) ◽

pp. 239-246 ◽

Cited By ~ 38

Author(s):

M. Sauvage ◽

E. Parthé

Keyword(s):

Short Range ◽

Diffuse Intensity ◽

Ternary Derivative

Download Full-text

Li12Cu12.60Al14.37: a new ternary derivative of the binary Laves phases

Acta Crystallographica Section C Crystal Structure Communications ◽

10.1107/s0108270111048566 ◽

2011 ◽

Vol 67 (12) ◽

pp. i59-i62 ◽

Cited By ~ 8

Author(s):

Volodymyr Pavlyuk ◽

Grygoriy Dmytriv ◽

Ivan Tarasiuk ◽

Ihor Chumak ◽

Helmut Ehrenberg

Keyword(s):

Laves Phases ◽

Ternary Derivative

Download Full-text

Crystal structure of the new silicide LaNi11.8–11.4Si1.2–1.6

Zeitschrift für Naturforschung B ◽

10.1515/znb-2021-0021 ◽

2021 ◽

Vol 76 (3-4) ◽

pp. 243-247

Author(s):

Bohdana Belan ◽

Tamara J. Bednarchuk ◽

Vasyl Kinzhybalo ◽

Mariya Dzevenko ◽

Svitlana Pukas ◽

...

Keyword(s):

Crystal Structure ◽

Intermetallic Compound ◽

Single Crystal ◽

Diffraction Data ◽

Type Structure ◽

X Ray Diffraction ◽

X Ray ◽

Structure Space ◽

Arc Melting ◽

Ternary Derivative

Abstract The intermetallic compound LaNi11.8–11.4Si1.2–1.6 was synthesized by arc-melting and its crystal structure was determined using powder and single-crystal X-ray diffraction data. The compound adopts the cubic CaCu6.5Al6.5-type structure (space group Fm 3 ‾ $\bar{3}$ c, Pearson code cF112, Z = 8), which is a partially ordered ternary derivative of the NaZn13 type: a = 11.256(4) Å, V = 1426.1(15) Å3, R = 0.0133, wR = 0.0285 for 93 reflections with I > 2 σ(I) for LaNi11.4Si1.6; a = 11.25486(8) Å, V = 1425.68(2) Å3, R p = 4.17%, R wp = 5.85%, R B = 3.44% for LaNi11.8Si1.2. One of its crystallographic positions (96i) is occupied by a mixture of Ni and Si atoms. The structure of this new silicide can be represented as a packing of Ni-centered icosahedra and La-centered snub cubes, which are packed in a CsCl-related manner.

Download Full-text