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Structures of Solids

Structures of Solids

Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...

Lattice Centering and Coordination Number

Lattice Centering and Coordination Number

The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
Types of Unit Cells
Imagine taking a large number of identical...

Coordination Number and Geometry

Coordination Number and Geometry

For transition metal complexes, the coordination number determines the geometry around the central metal ion. Table 1 compares coordination numbers to molecular geometry. The most common structures of the complexes in coordination compounds are octahedral, tetrahedral, and square planar.

Structural Isomerism

Structural Isomerism

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 be...

Structure of Benzene: Kekulé Model

Structure of Benzene: Kekulé Model

In 1865, August Kekule suggested the structure of benzene according to the structural theory of organic chemistry based on the three assertions—formula of benzene is C6H6, all the hydrogens of benzene are equivalent, and each carbon must have four bonds due to its tetravalency.
He proposed that benzene has a cyclic structure of six carbon atoms attached to one hydrogen atom each, with three alternating pi bonds.

Structure of Benzene: Molecular Orbital Model

Structure of Benzene: Molecular Orbital Model

According to the molecular orbital (MO) model, benzene has a planar structure with a regular hexagon of six sp2 hybridized carbons. As shown in Figure 1, each carbon is bonded to three other atoms with C–C–C and H–C–C bond angles of 120°. The C–H bond length is 109 pm, and the C–C bond length is 139 pm which is midway between the single bond length of sp3 hybridized carbons (154 pm) and sp2 hybridized carbons (133 pm).

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Related Experiment Video

Updated: Jul 5, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

The structure of Ba@C74.

Andreas Reich¹, Martin Panthöfer, Hartwig Modrow

¹Max Planck Institute for Solid State Research, Heisenbergstr. 1, D-70569 Stuttgart, Germany.

Journal of the American Chemical Society

|November 4, 2004

Summary

This study reveals the precise structure of barium metallofullerenes using advanced X-ray diffraction and spectroscopy. The barium ion is confirmed to be off-center within the fullerene cage, offering insights into metallofullerene chemistry.

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Last Updated: Jul 5, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

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Published on: February 15, 2016

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Area of Science:

Fullerene Chemistry
Materials Science
Nanotechnology

Background:

Metallofullerenes are fullerenes encapsulating metal atoms, with potential applications in various fields.
Understanding the precise structure and bonding of metallofullerenes is crucial for their development.
Previous studies have suggested off-center metal ion positions in some metallofullerenes, but direct structural evidence was often limited.

Purpose of the Study:

To determine the detailed crystal structure of the monometallofullerene Ba@C(74).Co(OEP).2C(6)H(6).
To elucidate the precise location and coordination of the barium ion within the C(74) cage.
To investigate the self-assembly and packing of these complex metallofullerene units.

Main Methods:

Radio frequency (RF) method for simultaneous evaporation of Barium and Carbon.
Three-step high-pressure liquid chromatography for purification of Ba@C(74).
Single-crystal synchrotron X-ray diffraction at 100 K.
Ba L(III) XANES spectroscopy and quantum chemical calculations for structural validation.

Main Results:

The structure of Ba@C(74).Co(OEP).2C(6)H(6) was determined for the first time, revealing a highly localized endohedral barium ion.
The barium atom is displaced off-center within the C(74) cage, approximately 127-150 pm from the geometric center.
Co(OEP) molecules form dimers, coordinating the fullerene cage, and the complex units assemble in a distorted hexagonal packing with benzene solvent molecules.

Conclusions:

A consistent and conclusive structure model for the title compound was derived using a combination of experimental and computational methods.
The off-center position of the barium ion is confirmed, providing critical structural data for metallofullerene research.
The findings contribute to a deeper understanding of the structure-property relationships in endohedral metallofullerenes.