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Perovskite (structure)

physical science Maturity 11-13 Next article →

A perovskite is a specific type of crystalline material. It is named after the mineral perovskite, which is calcium titanium oxide (CaTiO3).

Perovskite mineral specimen
Perovskite mineral specimen

This mineral structure is very important in science. It represents one of the most abundant structural families in chemistry. Perovskites are useful because they possess a wide range of physical properties. They can be used in technology to carry electricity or act as superconductors.

Perovskite ABO3
Perovskite ABO3

Most perovskites follow the chemical formula ABX3. This formula describes how three different parts fit together in a repeating pattern. The 'A' and 'B' parts are cations, which are positively charged ions. The 'A' cation is generally much larger than the 'B' cation. The 'X' part is an anion, which is a negatively charged ion. In many cases, the X ion is oxygen.

Perovskite
Perovskite

In an ideal cubic structure, these ions arrange themselves very precisely. The B cation sits in the center of the unit cell. It is surrounded by six anions in a shape called an octahedron. This is known as 6-fold coordination. The A cation sits at the corners of the cube. It is surrounded by twelve anions in a cuboctahedral coordination. This is known as 12-fold coordination. The X atoms sit at the center of each flat face of the cube.

Perovskite
Perovskite

While the cubic form is the ideal model, it is rarely found in nature. The structure can change based on the size of the ions. If the ions do not fit perfectly, the structure may tilt or buckle. This can change the shape into orthorhombic, tetragonal, or trigonal forms. For example, barium titanate can change between these shapes depending on the temperature.

Tilt systems
Tilt systems

Such distortions can create an electric dipole. This specific property is known as ferroelectricity.

Perovskite
Perovskite

Some perovskites are known as defect perovskites because they are missing parts. In a perfect crystal, every position is filled. However, defect perovskites may lack some A, B, or X atoms. Rhenium trioxide is a simple example because it is missing the A atoms.

Rhenium-trioxide-unit-cell-3D-balls-B
Rhenium-trioxide-unit-cell-3D-balls-B

Another important example is yttrium barium copper oxide, or YBCO. YBCO is a high-temperature superconductor with the formula YBa2Cu3O7. It is a defect perovskite because it is missing two oxygen atoms.

Perovskite oxide thin film
Perovskite oxide thin film

Scientists can also create complex versions of these crystals. Double perovskites have the formula A2BO6. In these structures, two different types of B cations occupy the B sites in an ordered pattern. This often creates a rock-salt ordering. This means the different B cations alternate like a chessboard.

Sr2FeMoO6
Sr2FeMoO6

There are also antiperovskites. In an antiperovskite, the positions of the anions and cations are swapped. The stability of these structures depends on the Goldschmidt tolerance factor. This factor is calculated using the radii of the A, B, and X ions.

Perovskite ABO3
Perovskite ABO3

Perovskites were first discovered in 1839. A scientist named Gustav Rose found the mineral in the Ural mountains of Russia. He named the mineral after the Russian mineralogist L. A. Perovski. Perovski lived from 1792 to 1856. Since that discovery, the study of these structures has grown immensely. Today, researchers use them to explore magnetism and electronic properties. They can even grow perovskites as thin films only a few nanometres thick.

Perovskite oxide thin film
Perovskite oxide thin film
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🖼️ Images & Media (9)
File:Perovskite.jpg
Perovskite.jpg
File:Perovskite mineral specimen.jpg
Perovskite mineral specimen.jpg
File:Perovskite ABO3.jpg
Perovskite ABO3.jpg
File:Rhenium-trioxide-unit-cell-3D-balls-B.png
Rhenium-trioxide-unit-cell-3D-balls-B.png
File:Perovskite oxide thin film.jpg
Perovskite oxide thin film.jpg
Sr2FeMoO6.tif
File:Tilt systems.png
Tilt systems.png
File:Rectangular perovskite crystal.jpg
Rectangular perovskite crystal.jpg
File:CH3NH3PbI3 structure.png
CH3NH3PbI3 structure.png
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