Understanding of magnetic behavior of the pseudo-binary CoNiZn: in the light of crystal and electronic structures.

A high-temperature synthetic approach is used to prepare a series of pseudo-binary phases-CoNiZn. In the structures of CoNiZn, the statistical distribution between Co and Ni that is suggested by compositional analysis is confirmed by combined refinements of X-ray and neutron powder diffraction (NPD) experimental data. The aforementioned phases adopt a body-centered cubic lattice with a noncentrosymmetric space group 4̄3 (217).

Ahead by a Century: Discovery of Laves Phases Assisted by Machine Learning.

Laves phases form the most abundant group of intermetallic compounds, consisting of combinations of larger electropositive metals with smaller metals . Many practical applications of Laves phases depend on the ability to tune their physical properties through appropriate substitution of either the or component. Although simple geometrical and electronic factors have long been thought to control the formation of Laves phases, no single factor alone can make predictions accurately.

Role of Partial Vacancy and Structural Distortion in the Stability of Nonstoichiometric Phases NiInSeS (1.26 ≥ δ ≥ 0.94; 0 ≤ ≤ 1.33).

This study explores the structure and stability of partly disordered sulfur-substituted NiInSe (4/, = 3.6766(1) Å, = 18.8178(10) Å, = 2).

NiInSb: Synthesis, Crystal Structure, Electronic Structure, and Magnetic Properties.

The ternary phase with the composition NiInSb has been synthesized by high-temperature synthesis and structurally characterized by a combination of X-ray analysis, neutron diffraction analysis, and theoretical calculations. The structure of NiInSb crystallizes in the orthorhombic space group with lattice constants = 7.111(3) Å, = 5.

CuTiTe: Synthesis, Crystal Structure, and Chemical Bonding.

A new compound CuTiTe in the Cu-Ti-Te ternary system is prepared using high-temperature solid-state synthesis and characterized by single-crystal X-ray diffraction and energy-dispersive X-ray spectroscopy. The average structure of CuTiTe crystallizes in the cubic space group 4̅3 (9; = 5.9484(1) Å) and adopts the CuTiSe structure type.