Interstitial site

Last updated
Interstitial sites in simple cubic and close-packed structures Sphere packing.jpg
Interstitial sites in simple cubic and close-packed structures

In crystallography, interstitial sites, holes or voids are the empty space that exists between the packing of atoms (spheres) in the crystal structure. [1]

Contents

The holes are easy to see if you try to pack circles together. No matter how close you get them or how you arrange them, you will have empty space in between. The same is true in a unit cell, no matter how the atoms are arranged, there will be interstitial sites present between the atoms. These sites or holes can be filled with other atoms.  The picture with packed circles is only a 2D representation.  In a crystal lattice, the atoms (spheres) would be packed in a 3D arrangement.  This results in different shaped interstitial sites depending on the arrangement of the atoms in the lattice.

Close packed

Octahedral (red) and tetrahedral (blue) interstitial symmetry polyhedra in a face-centered cubic lattice. The actual interstitial atom would ideally be in the middle of one of the polyhedra. Sites interstitiels cubique a faces centrees.svg
Octahedral (red) and tetrahedral (blue) interstitial symmetry polyhedra in a face-centered cubic lattice. The actual interstitial atom would ideally be in the middle of one of the polyhedra.

A close packed unit cell, both face-centered cubic and hexagonal close packed, can form two different shaped holes.  Looking at the three green spheres in the hexagonal packing illustration at the top of the page, they form a triangle-shaped hole.  If an atom is arranged on top of this triangular hole it forms a tetrahedral interstitial hole. If the three atoms in the layer above are rotated and their triangular hole sits on top of this one, it forms an octahedral interstitial hole. [1] In a close-packed structure there are 4 atoms per unit cell and it will have 4 octahedral voids (1:1 ratio) and 8 tetrahedral voids (1:2 ratio) per unit cell. [2] The tetrahedral void is smaller in size and could fit an atom with a radius 0.225 times the size of the atoms making up the lattice.  An octahedral void could fit an atom with a radius 0.441 times the size of the atoms making up the lattice. [2] An atom that fills this empty space could be larger than this ideal radius ratio, which would lead to a distorted lattice due to pushing out the surrounding atoms, but it cannot be smaller than this ratio. [2]

Face-centered cubic (FCC)

If half of the tetrahedral sites of the parent FCC lattice are filled by ions of opposite charge, the structure formed is the zincblende crystal structure. If all the tetrahedral sites of the parent FCC lattice are filled by ions of opposite charge, the structure formed is the fluorite structure or antifluorite structure. If all the octahedral sites of the parent FCC lattice are filled by ions of opposite charge, the structure formed is the rock-salt structure.

Hexagonal close packed (HCP)

If half of the tetrahedral sites of the parent HCP lattice are filled by ions of opposite charge, the structure formed is the wurtzite crystal structure. If all the octahedral sites of the anion HCP lattice are filled by cations, the structure formed is the nickel arsenide structure.

Simple cubic

A simple cubic unit cell, with stacks of atoms arranged as if at the eight corners of a cube would form a single cubic hole or void in the center. If these voids are occupied by ions of opposite charge from the parent lattice, the cesium chloride structure is formed.

Body-centered cubic (BCC)

A body-centered cubic unit cell has six octahedral voids located at the center of each face of the unit cell, and twelve further ones located at the midpoint of each edge of the same cell, for a total of six net octahedral voids. Additionally, there are 24 tetrahedral voids located in a square spacing around each octahedral void, for a total of twelve net tetrahedral voids. These tetrahedral voids are not local maxima and are not technically voids, but they do occasionally appear in multi-atom unit cells.

Interstitial defect

An interstitial defect refers to additional atoms occupying some interstitial sites at random as crystallographic defects in a crystal which normally has empty interstitial sites by default.

Related Research Articles

<span class="mw-page-title-main">Carbide</span> Inorganic compound group

In chemistry, a carbide usually describes a compound composed of carbon and a metal. In metallurgy, carbiding or carburizing is the process for producing carbide coatings on a metal piece.

<span class="mw-page-title-main">Crystallographic defect</span> Disruption of the periodicity of a crystal lattice

Crystallographic defects are interruptions of regular patterns in crystalline solids. They are common because positions of atoms or molecules at repeating fixed distances determined by the unit cell parameters in crystals, which exhibit a periodic crystal structure, are usually imperfect.

<span class="mw-page-title-main">Crystal structure</span> Ordered arrangement of atoms, ions, or molecules in a crystalline material

In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions or molecules in a crystalline material. Ordered structures occur from the intrinsic nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter.

<span class="mw-page-title-main">Sphere packing</span> An arrangement of non-overlapping spheres within a containing space

In geometry, a sphere packing is an arrangement of non-overlapping spheres within a containing space. The spheres considered are usually all of identical size, and the space is usually three-dimensional Euclidean space. However, sphere packing problems can be generalised to consider unequal spheres, spaces of other dimensions or to non-Euclidean spaces such as hyperbolic space.

<span class="mw-page-title-main">Cubic crystal system</span> Crystallographic system where the unit cell is in the shape of a cube

In crystallography, the cubiccrystal system is a crystal system where the unit cell is in the shape of a cube. This is one of the most common and simplest shapes found in crystals and minerals.

<span class="mw-page-title-main">Close-packing of equal spheres</span> Dense arrangement of congruent spheres in an infinite, regular arrangement

In geometry, close-packing of equal spheres is a dense arrangement of congruent spheres in an infinite, regular arrangement. Carl Friedrich Gauss proved that the highest average density – that is, the greatest fraction of space occupied by spheres – that can be achieved by a lattice packing is

Silver bromide (AgBr) is a soft, pale-yellow, water-insoluble salt well known for its unusual sensitivity to light. This property has allowed silver halides to become the basis of modern photographic materials. AgBr is widely used in photographic films and is believed by some to have been used for making the Shroud of Turin. The salt can be found naturally as the mineral bromargyrite.

In condensed matter physics, the term geometrical frustration refers to a phenomenon where atoms tend to stick to non-trivial positions or where, on a regular crystal lattice, conflicting inter-atomic forces lead to quite complex structures. As a consequence of the frustration in the geometry or in the forces, a plenitude of distinct ground states may result at zero temperature, and usual thermal ordering may be suppressed at higher temperatures. Much studied examples are amorphous materials, glasses, or dilute magnets.

Ionic radius, rion, is the radius of a monatomic ion in an ionic crystal structure. Although neither atoms nor ions have sharp boundaries, they are treated as if they were hard spheres with radii such that the sum of ionic radii of the cation and anion gives the distance between the ions in a crystal lattice. Ionic radii are typically given in units of either picometers (pm) or angstroms (Å), with 1 Å = 100 pm. Typical values range from 31 pm (0.3 Å) to over 200 pm (2 Å).

Pauling's rules are five rules published by Linus Pauling in 1929 for predicting and rationalizing the crystal structures of ionic compounds.

<span class="mw-page-title-main">Tetrahedral-octahedral honeycomb</span> Quasiregular space-filling tesselation

The tetrahedral-octahedral honeycomb, alternated cubic honeycomb is a quasiregular space-filling tessellation in Euclidean 3-space. It is composed of alternating regular octahedra and tetrahedra in a ratio of 1:2.

A Schottky defect is an excitation of the site occupations in a crystal lattice leading to point defects named after Walter H. Schottky. In ionic crystals, this defect forms when oppositely charged ions leave their lattice sites and become incorporated for instance at the surface, creating oppositely charged vacancies. These vacancies are formed in stoichiometric units, to maintain an overall neutral charge in the ionic solid.

A molecular model is a physical model of an atomistic system that represents molecules and their processes. They play an important role in understanding chemistry and generating and testing hypotheses. The creation of mathematical models of molecular properties and behavior is referred to as molecular modeling, and their graphical depiction is referred to as molecular graphics.

In chemistry, crystallography, and materials science, the coordination number, also called ligancy, of a central atom in a molecule or crystal is the number of atoms, molecules or ions bonded to it. The ion/molecule/atom surrounding the central ion/molecule/atom is called a ligand. This number is determined somewhat differently for molecules than for crystals.

<span class="mw-page-title-main">Interstitial defect</span>

An interstitial defect is a type of point crystallographic defect where an atom of the same or of a different type, occupies an interstitial site in the crystal structure. When the atom is of the same type as those already present they are known as a self-interstitial defect. Alternatively, small atoms in some crystals may occupy interstitial sites, such as hydrogen in palladium. Interstitials can be produced by bombarding a crystal with elementary particles having energy above the displacement threshold for that crystal, but they may also exist in small concentrations in thermodynamic equilibrium. The presence of interstitial defects can modify the physical and chemical properties of a material.

For elements that are solid at standard temperature and pressure the table gives the crystalline structure of the most thermodynamically stable form(s) in those conditions. In all other cases the structure given is for the element at its melting point. Data is presented only for the elements that have been produced in bulk. Predictions are given for astatine, francium, elements 100–113 and 118. The latest predictions for flerovium could not distinguish between face-centred cubic and hexagonal close-packed structures, which were predicted to be close in energy. No predictions are available for elements 115–117.

<span class="mw-page-title-main">Hexagonal crystal family</span> Union of crystal groups with related structures and lattices

In crystallography, the hexagonal crystal family is one of the six crystal families, which includes two crystal systems and two lattice systems. While commonly confused, the trigonal crystal system and the rhombohedral lattice system are not equivalent. In particular, there are crystals that have trigonal symmetry but belong to the hexagonal lattice.

<span class="mw-page-title-main">Crystal structure of boron-rich metal borides</span> Boron chemical complexes

Metals, and specifically rare-earth elements, form numerous chemical complexes with boron. Their crystal structure and chemical bonding depend strongly on the metal element M and on its atomic ratio to boron. When B/M ratio exceeds 12, boron atoms form B12 icosahedra which are linked into a three-dimensional boron framework, and the metal atoms reside in the voids of this framework. Those icosahedra are basic structural units of most allotropes of boron and boron-rich rare-earth borides. In such borides, metal atoms donate electrons to the boron polyhedra, and thus these compounds are regarded as electron-deficient solids.

The spinels are any of a class of minerals of general formulation AB
2
X
4
which crystallise in the cubic (isometric) crystal system, with the X anions arranged in a cubic close-packed lattice and the cations A and B occupying some or all of the octahedral and tetrahedral sites in the lattice. Although the charges of A and B in the prototypical spinel structure are +2 and +3, respectively, other combinations incorporating divalent, trivalent, or tetravalent cations, including magnesium, zinc, iron, manganese, aluminium, chromium, titanium, and silicon, are also possible. The anion is normally oxygen; when other chalcogenides constitute the anion sublattice the structure is referred to as a thiospinel.

<span class="mw-page-title-main">Fluorite structure</span>

In solid state chemistry, the fluorite structure refers to a common motif for compounds with the formula MX2. The X ions occupy the eight tetrahedral interstitial sites whereas M ions occupy the regular sites of a face-centered cubic (FCC) structure. Many compounds, notably the common mineral fluorite (CaF2), adopt this structure.

References

  1. 1 2 "What do we mean by Voids in Solid State?". Archived from the original on 2016-06-18.
  2. 1 2 3 "Study of Interstitial Voids". Archived from the original on 2020-08-04.