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Ionic Crystal Structures02:42

Ionic Crystal Structures

16.5K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
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Structural Isomerism02:34

Structural Isomerism

21.2K
Isomerism in Complexes
Isomers are different chemical species that have the same chemical formula. Structural isomerism of coordination compounds can be divided into two subcategories, the linkage isomers and coordination-sphere isomers.
Linkage isomers occur when the coordination compound contains a ligand that can bind to the transition metal center through two different atoms. For example, the CN− ligand can bind through the carbon atom or through the nitrogen atom. Similarly, SCN− can...
21.2K
Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

Lewis Structures of Molecular Compounds and Polyatomic Ions

43.6K
To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
43.6K
Resonance and Hybrid Structures02:16

Resonance and Hybrid Structures

24.0K
According to the theory of resonance, if two or more Lewis structures with the same arrangement of atoms can be written for a molecule, ion, or radical, the actual distribution of electrons is an average of that shown by the various Lewis structures.
Resonance Structures and Resonance Hybrids
The Lewis structure of a nitrite anion (NO2−) may actually be drawn in two different ways, distinguished by the locations of the N–O and N=O bonds.
24.0K
Chirality at Nitrogen, Phosphorus, and Sulfur02:30

Chirality at Nitrogen, Phosphorus, and Sulfur

6.7K
Chirality is most prevalent in carbon-based tetrahedral compounds, but this important facet of molecular symmetry extends to sp3-hybridized nitrogen, phosphorus and sulfur centers, including trivalent molecules with lone pairs. Here, the lone pair behaves as a functional group in addition to the other three substituents to form an analogous tetrahedral center that can be chiral.
A consequence of chirality is the need for enantiomeric resolution. While this is theoretically possible for all...
6.7K
Stereoisomerism of Cyclic Compounds02:33

Stereoisomerism of Cyclic Compounds

10.7K
In this lesson, we delve into the role of ring conformation and its stability, which determines the spatial arrangement and, consequently, the molecular symmetry and stereoisomerism of cyclic compounds. 1,2-Dimethylcyclohexane is used as a case study to evaluate the possible number of stereoisomers. Here, given the multiple (n = 2) chiral centers, there are 2n = 4 possible configurations that lack a plane of symmetry, as the ring skeleton exists in a non-planar chair conformation. In addition,...
10.7K

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Related Experiment Video

Updated: Dec 11, 2025

Fabrication and Optimization of Type II Silicon Clathrate Films
06:53

Fabrication and Optimization of Type II Silicon Clathrate Films

Published on: October 14, 2025

792

Structure variations within RSi2 and R2Si3 silicides. Part II. Structure driving factors.

M Nentwich1, M Zschornak1, M Sonntag1

  • 1Institute for Experimental Physics,Technical University Bergakademie Freiberg, 09596 Freiberg, Germany.

Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|August 25, 2020
PubMed
Summary
This summary is machine-generated.

This study analyzes RSi2 and R2TSi3 compounds, revealing electronic structure drives their types. Thermal treatment influences silicon/transition metal atom ordering.

Keywords:
DFTordering phenomenarare earthsilicidestructure prediction

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Last Updated: Dec 11, 2025

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Area of Science:

  • Solid-state chemistry
  • Materials science
  • Crystallography

Background:

  • RSi2 and R2TSi3 compounds exhibit diverse crystal structures.
  • Understanding structure-property relationships is crucial for materials design.

Purpose of the Study:

  • To systematically analyze structural properties of RSi2 and R2TSi3 compounds.
  • To identify driving factors, particularly electronic structure, for observed structure types.
  • To investigate the influence of elemental and extrinsic properties on crystal structures.

Main Methods:

  • Compilation and analysis of extensive structural data (lattice parameters, c/a ratios, etc.).
  • Application of theoretical concepts: molecular orbital theory, Hard and Soft Acids and Bases (HSAB) principle.
  • Density Functional Theory (DFT) calculations with Bader analysis for representative compounds.
  • Correlation analysis of intrinsic (elemental size, electronics) and extrinsic (lattice parameters, structure type) properties.

Main Results:

  • Extensive tables summarize compositions, lattice parameters, and structure types.
  • Electronic structure is identified as a key determinant of structure type.
  • Potential for silicon/transition metal (Si/T) ordering is discussed.
  • Interplay between elemental and extrinsic properties is visualized through correlation plots.
  • Thermal treatment is found to be a significant factor influencing Si/T ordering.

Conclusions:

  • The study provides a comprehensive overview and systematization of RSi2 and R2TSi3 structures.
  • Electronic structure principles offer insights into the formation of specific structure types.
  • Elemental and extrinsic factors significantly influence crystal structure variations.
  • Controlled thermal treatment can be utilized to tailor Si/T ordering in these compounds.