Crystal system

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The diamond crystal structure belongs to the face-centered cubic lattice, with a repeated two-atom pattern. Carbon lattice diamond.png
The diamond crystal structure belongs to the face-centered cubic lattice, with a repeated two-atom pattern.

In crystallography, a crystal system is a set of point groups (a group of geometric symmetries with at least one fixed point). A lattice system is a set of Bravais lattices. Space groups are classified into crystal systems according to their point groups, and into lattice systems according to their Bravais lattices. Crystal systems that have space groups assigned to a common lattice system are combined into a crystal family.

Contents

The seven crystal systems are triclinic, monoclinic, orthorhombic, tetragonal, trigonal, hexagonal, and cubic. Informally, two crystals are in the same crystal system if they have similar symmetries (albeit there are many exceptions).

Classifications

Crystals can be classified in three ways: lattice systems, crystal systems and crystal families. The various classifications are often confused: in particular the trigonal crystal system is often confused with the rhombohedral lattice system, and the term "crystal system" is sometimes used to mean "lattice system" or "crystal family".

Lattice system

A lattice system is a group of lattices with the same set of lattice point groups. The 14 Bravais lattices are grouped into seven lattice systems: triclinic, monoclinic, orthorhombic, tetragonal, rhombohedral, hexagonal, and cubic.

Crystal system

A crystal system is a set of point groups in which the point groups themselves and their corresponding space groups are assigned to a lattice system. Of the 32 crystallographic point groups that exist in three dimensions, most are assigned to only one lattice system, in which case both the crystal and lattice systems have the same name. However, five point groups are assigned to two lattice systems, rhombohedral and hexagonal, because both exhibit threefold rotational symmetry. These point groups are assigned to the trigonal crystal system.

Crystal family

A crystal family is determined by lattices and point groups. It is formed by combining crystal systems that have space groups assigned to a common lattice system. In three dimensions, the hexagonal and trigonal crystal systems are combined into one hexagonal crystal family.

Hexagonal hanksite crystal, with threefold c-axis symmetry Hanksite.JPG
Hexagonal hanksite crystal, with threefold c-axis symmetry

Comparison

Five of the crystal systems are essentially the same as five of the lattice systems. The hexagonal and trigonal crystal systems differ from the hexagonal and rhombohedral lattice systems. These are combined into the hexagonal crystal family.

The relation between three-dimensional crystal families, crystal systems and lattice systems is shown in the following table:

Crystal familyCrystal systemRequired symmetries of the point group Point groups Space groups Bravais lattices Lattice system
Triclinic TriclinicNone221Triclinic
Monoclinic Monoclinic1 twofold axis of rotation or 1 mirror plane 3132Monoclinic
Orthorhombic Orthorhombic3 twofold axes of rotation or 1 twofold axis of rotation and 2 mirror planes3594Orthorhombic
Tetragonal Tetragonal1 fourfold axis of rotation7682Tetragonal
Hexagonal Trigonal1 threefold axis of rotation571 Rhombohedral
181Hexagonal
Hexagonal1 sixfold axis of rotation727
Cubic Cubic4 threefold axes of rotation5363Cubic
67Total32230147
Note: there is no "trigonal" lattice system. To avoid confusion of terminology, the term "trigonal lattice" is not used.

Crystal classes

The 7 crystal systems consist of 32 crystal classes (corresponding to the 32 crystallographic point groups) as shown in the following table below:

Crystal familyCrystal system Point group / Crystal class Schönflies Hermann–Mauguin Orbifold Coxeter Point symmetry Order Abstract group
triclinic pedialC1111[ ]+ enantiomorphic polar 1trivial
pinacoidalCi (S2)11x[2,1+] centrosymmetric 2 cyclic
monoclinic sphenoidalC2222[2,2]+ enantiomorphic polar 2 cyclic
domaticCs (C1h)m*11[ ] polar 2 cyclic
prismatic C2h2/m2*[2,2+] centrosymmetric 4 Klein four
orthorhombic rhombic-disphenoidalD2 (V)222222[2,2]+ enantiomorphic 4 Klein four
rhombic-pyramidal C2vmm2*22[2] polar 4 Klein four
rhombic-dipyramidal D2h (Vh)mmm*222[2,2] centrosymmetric 8
tetragonal tetragonal-pyramidalC4444[4]+ enantiomorphic polar 4 cyclic
tetragonal-disphenoidalS442x[2+,2] non-centrosymmetric 4 cyclic
tetragonal-dipyramidalC4h4/m4*[2,4+] centrosymmetric 8
tetragonal-trapezohedralD4422422[2,4]+ enantiomorphic 8 dihedral
ditetragonal-pyramidalC4v4mm*44[4] polar 8 dihedral
tetragonal-scalenohedralD2d (Vd)42m or 4m22*2[2+,4] non-centrosymmetric 8 dihedral
ditetragonal-dipyramidalD4h4/mmm*422[2,4] centrosymmetric 16
hexagonal trigonaltrigonal-pyramidalC3333[3]+ enantiomorphic polar 3 cyclic
rhombohedralC3i (S6)33x[2+,3+] centrosymmetric 6 cyclic
trigonal-trapezohedralD332 or 321 or 312322[3,2]+ enantiomorphic 6 dihedral
ditrigonal-pyramidalC3v3m or 3m1 or 31m*33[3] polar 6 dihedral
ditrigonal-scalenohedralD3d3m or 3m1 or 31m2*3[2+,6] centrosymmetric 12 dihedral
hexagonalhexagonal-pyramidalC6666[6]+ enantiomorphic polar 6 cyclic
trigonal-dipyramidalC3h63*[2,3+] non-centrosymmetric 6 cyclic
hexagonal-dipyramidalC6h6/m6*[2,6+] centrosymmetric 12
hexagonal-trapezohedralD6622622[2,6]+ enantiomorphic 12 dihedral
dihexagonal-pyramidalC6v6mm*66[6] polar 12 dihedral
ditrigonal-dipyramidalD3h6m2 or 62m*322[2,3] non-centrosymmetric 12 dihedral
dihexagonal-dipyramidalD6h6/mmm*622[2,6] centrosymmetric 24
cubic tetartoidalT23332[3,3]+ enantiomorphic 12 alternating
diploidalThm33*2[3+,4] centrosymmetric 24
gyroidalO432432[4,3]+ enantiomorphic 24 symmetric
hextetrahedral Td43m*332[3,3] non-centrosymmetric 24 symmetric
hexoctahedral Ohm3m*432[4,3] centrosymmetric 48

The point symmetry of a structure can be further described as follows. Consider the points that make up the structure, and reflect them all through a single point, so that (x,y,z) becomes (−x,−y,−z). This is the 'inverted structure'. If the original structure and inverted structure are identical, then the structure is centrosymmetric. Otherwise it is non-centrosymmetric. Still, even in the non-centrosymmetric case, the inverted structure can in some cases be rotated to align with the original structure. This is a non-centrosymmetric achiral structure. If the inverted structure cannot be rotated to align with the original structure, then the structure is chiral or enantiomorphic and its symmetry group is enantiomorphic. [1]

A direction (meaning a line without an arrow) is called polar if its two-directional senses are geometrically or physically different. A symmetry direction of a crystal that is polar is called a polar axis. [2] Groups containing a polar axis are called polar . A polar crystal possesses a unique polar axis (more precisely, all polar axes are parallel). Some geometrical or physical property is different at the two ends of this axis: for example, there might develop a dielectric polarization as in pyroelectric crystals. A polar axis can occur only in non-centrosymmetric structures. There cannot be a mirror plane or twofold axis perpendicular to the polar axis, because they would make the two directions of the axis equivalent.

The crystal structures of chiral biological molecules (such as protein structures) can only occur in the 65 enantiomorphic space groups (biological molecules are usually chiral).

Bravais lattices

There are seven different kinds of lattice systems, and each kind of lattice system has four different kinds of centerings (primitive, base-centered, body-centered, face-centered). However, not all of the combinations are unique; some of the combinations are equivalent while other combinations are not possible due to symmetry reasons. This reduces the number of unique lattices to the 14 Bravais lattices.

The distribution of the 14 Bravais lattices into 7 lattice systems is given in the following table.

Crystal familyLattice systemPoint group
(Schönflies notation)
14 Bravais lattices
Primitive (P)Base-centered (S)Body-centered (I)Face-centered (F)
Triclinic (a)Ci Triclinic.svg

aP

Monoclinic (m)C2h Monoclinic.svg

mP

Base-centered monoclinic.svg

mS

Orthorhombic (o)D2h Orthorhombic.svg

oP

Orthorhombic-base-centered.svg

oS

Orthorhombic-body-centered.svg

oI

Orthorhombic-face-centered.svg

oF

Tetragonal (t)D4h Tetragonal.svg

tP

Tetragonal-body-centered.svg

tI

Hexagonal (h)RhombohedralD3d Rhombohedral.svg

hR

HexagonalD6h Hexagonal latticeFRONT.svg

hP

Cubic (c)Oh Cubic.svg

cP

Cubic-body-centered.svg

cI

Cubic-face-centered.svg

cF

In geometry and crystallography, a Bravais lattice is a category of translative symmetry groups (also known as lattices) in three directions.

Such symmetry groups consist of translations by vectors of the form

R = n1a1 + n2a2 + n3a3,

where n1, n2, and n3 are integers and a1, a2, and a3 are three non-coplanar vectors, called primitive vectors.

These lattices are classified by the space group of the lattice itself, viewed as a collection of points; there are 14 Bravais lattices in three dimensions; each belongs to one lattice system only. They[ clarification needed ] represent the maximum symmetry a structure with the given translational symmetry can have.

All crystalline materials (not including quasicrystals) must, by definition, fit into one of these arrangements.

For convenience a Bravais lattice is depicted by a unit cell which is a factor 1, 2, 3, or 4 larger than the primitive cell. Depending on the symmetry of a crystal or other pattern, the fundamental domain is again smaller, up to a factor 48.

The Bravais lattices were studied by Moritz Ludwig Frankenheim in 1842, who found that there were 15 Bravais lattices. This was corrected to 14 by A. Bravais in 1848.

In other dimensions

Two-dimensional space

Two dimensional space has the same number of crystal systems, crystal families, and lattice systems. In 2D space, there are four crystal systems: oblique, rectangular, square, and hexagonal.

Four-dimensional space

‌The four-dimensional unit cell is defined by four edge lengths (a, b, c, d) and six interaxial angles (α, β, γ, δ, ε, ζ). The following conditions for the lattice parameters define 23 crystal families

Crystal families in 4D space
No.FamilyEdge lengthsInteraxial angles
1Hexaclinicabcdαβγδεζ ≠ 90°
2Triclinicabcdαβγ ≠ 90°
δ = ε = ζ = 90°
3Diclinicabcdα ≠ 90°
β = γ = δ = ε = 90°
ζ ≠ 90°
4Monoclinicabcdα ≠ 90°
β = γ = δ = ε = ζ = 90°
5Orthogonalabcdα = β = γ = δ = ε = ζ = 90°
6Tetragonal monoclinicab = cdα ≠ 90°
β = γ = δ = ε = ζ = 90°
7Hexagonal monoclinicab = cdα ≠ 90°
β = γ = δ = ε = 90°
ζ = 120°
8Ditetragonal diclinica = db = cα = ζ = 90°
β = ε ≠ 90°
γ ≠ 90°
δ = 180° − γ
9Ditrigonal (dihexagonal) diclinica = db = cα = ζ = 120°
β = ε ≠ 90°
γδ ≠ 90°
cos δ = cos β − cos γ
10Tetragonal orthogonalab = cdα = β = γ = δ = ε = ζ = 90°
11Hexagonal orthogonalab = cdα = β = γ = δ = ε = 90°, ζ = 120°
12Ditetragonal monoclinica = db = cα = γ = δ = ζ = 90°
β = ε ≠ 90°
13Ditrigonal (dihexagonal) monoclinica = db = cα = ζ = 120°
β = ε ≠ 90°
γ = δ ≠ 90°
cos γ = −1/2cos β
14Ditetragonal orthogonala = db = cα = β = γ = δ = ε = ζ = 90°
15Hexagonal tetragonala = db = cα = β = γ = δ = ε = 90°
ζ = 120°
16Dihexagonal orthogonala = db = cα = ζ = 120°
β = γ = δ = ε = 90°
17Cubic orthogonala = b = cdα = β = γ = δ = ε = ζ = 90°
18Octagonala = b = c = dα = γ = ζ ≠ 90°
β = ε = 90°
δ = 180° − α
19Decagonala = b = c = dα = γ = ζβ = δ = ε
cos β = −1/2 − cos α
20Dodecagonala = b = c = dα = ζ = 90°
β = ε = 120°
γ = δ ≠ 90°
21Diisohexagonal orthogonala = b = c = dα = ζ = 120°
β = γ = δ = ε = 90°
22Icosagonal (icosahedral)a = b = c = dα = β = γ = δ = ε = ζ
cos α = −1/4
23Hypercubica = b = c = dα = β = γ = δ = ε = ζ = 90°

The names here are given according to Whittaker. [3] They are almost the same as in Brown et al., [4] with exception for names of the crystal families 9, 13, and 22. The names for these three families according to Brown et al. are given in parentheses.

The relation between four-dimensional crystal families, crystal systems, and lattice systems is shown in the following table. [3] [4] Enantiomorphic systems are marked with an asterisk. The number of enantiomorphic pairs is given in parentheses. Here the term "enantiomorphic" has a different meaning than in the table for three-dimensional crystal classes. The latter means, that enantiomorphic point groups describe chiral (enantiomorphic) structures. In the current table, "enantiomorphic" means that a group itself (considered as a geometric object) is enantiomorphic, like enantiomorphic pairs of three-dimensional space groups P31 and P32, P4122 and P4322. Starting from four-dimensional space, point groups also can be enantiomorphic in this sense.

Crystal systems in 4D space
No. of
crystal family
Crystal familyCrystal systemNo. of
crystal system
Point groupsSpace groupsBravais latticesLattice system
IHexaclinic1221Hexaclinic P
IITriclinic23132Triclinic P, S
IIIDiclinic32123Diclinic P, S, D
IVMonoclinic442076Monoclinic P, S, S, I, D, F
VOrthogonalNon-axial orthogonal5221Orthogonal KU
1128Orthogonal P, S, I, Z, D, F, G, U
Axial orthogonal63887
VITetragonal monoclinic77882Tetragonal monoclinic P, I
VIIHexagonal monoclinicTrigonal monoclinic8591Hexagonal monoclinic R
151Hexagonal monoclinic P
Hexagonal monoclinic9725
VIIIDitetragonal diclinic*101 (+1)1 (+1)1 (+1)Ditetragonal diclinic P*
IXDitrigonal diclinic*112 (+2)2 (+2)1 (+1)Ditrigonal diclinic P*
XTetragonal orthogonalInverse tetragonal orthogonal12571Tetragonal orthogonal KG
3515Tetragonal orthogonal P, S, I, Z, G
Proper tetragonal orthogonal13101312
XIHexagonal orthogonalTrigonal orthogonal1410812Hexagonal orthogonal R, RS
1502Hexagonal orthogonal P, S
Hexagonal orthogonal1512240
XIIDitetragonal monoclinic*161 (+1)6 (+6)3 (+3)Ditetragonal monoclinic P*, S*, D*
XIIIDitrigonal monoclinic*172 (+2)5 (+5)2 (+2)Ditrigonal monoclinic P*, RR*
XIVDitetragonal orthogonalCrypto-ditetragonal orthogonal185101Ditetragonal orthogonal D
165 (+2)2Ditetragonal orthogonal P, Z
Ditetragonal orthogonal196127
XVHexagonal tetragonal20221081Hexagonal tetragonal P
XVIDihexagonal orthogonalCrypto-ditrigonal orthogonal*214 (+4)5 (+5)1 (+1)Dihexagonal orthogonal G*
5 (+5)1Dihexagonal orthogonal P
Dihexagonal orthogonal231120
Ditrigonal orthogonal221141
161Dihexagonal orthogonal RR
XVIICubic orthogonalSimple cubic orthogonal24591Cubic orthogonal KU
965Cubic orthogonal P, I, Z, F, U
Complex cubic orthogonal2511366
XVIIIOctagonal*262 (+2)3 (+3)1 (+1)Octagonal P*
XIXDecagonal27451Decagonal P
XXDodecagonal*282 (+2)2 (+2)1 (+1)Dodecagonal P*
XXIDiisohexagonal orthogonalSimple diisohexagonal orthogonal299 (+2)19 (+5)1Diisohexagonal orthogonal RR
19 (+3)1Diisohexagonal orthogonal P
Complex diisohexagonal orthogonal3013 (+8)15 (+9)
XXIIIcosagonal317202Icosagonal P, SN
XXIIIHypercubicOctagonal hypercubic3221 (+8)73 (+15)1Hypercubic P
107 (+28)1Hypercubic Z
Dodecagonal hypercubic3316 (+12)25 (+20)
Total23 (+6)33 (+7)227 (+44)4783 (+111)64 (+10)33 (+7)

See also

Related Research Articles

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<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.

In geometry, biology, mineralogy and solid state physics, a unit cell is a repeating unit formed by the vectors spanning the points of a lattice. Despite its suggestive name, the unit cell does not necessarily have unit size, or even a particular size at all. Rather, the primitive cell is the closest analogy to a unit vector, since it has a determined size for a given lattice and is the basic building block from which larger cells are constructed.

<span class="mw-page-title-main">Space group</span> Symmetry group of a configuration in space

In mathematics, physics and chemistry, a space group is the symmetry group of a repeating pattern in space, usually in three dimensions. The elements of a space group are the rigid transformations of the pattern that leave it unchanged. In three dimensions, space groups are classified into 219 distinct types, or 230 types if chiral copies are considered distinct. Space groups are discrete cocompact groups of isometries of an oriented Euclidean space in any number of dimensions. In dimensions other than 3, they are sometimes called Bieberbach groups.

<span class="mw-page-title-main">Lattice (group)</span> Periodic set of points

In geometry and group theory, a lattice in the real coordinate space is an infinite set of points in this space with the properties that coordinate-wise addition or subtraction of two points in the lattice produces another lattice point, that the lattice points are all separated by some minimum distance, and that every point in the space is within some maximum distance of a lattice point. Closure under addition and subtraction means that a lattice must be a subgroup of the additive group of the points in the space, and the requirements of minimum and maximum distance can be summarized by saying that a lattice is a Delone set. More abstractly, a lattice can be described as a free abelian group of dimension which spans the vector space . For any basis of , the subgroup of all linear combinations with integer coefficients of the basis vectors forms a lattice, and every lattice can be formed from a basis in this way. A lattice may be viewed as a regular tiling of a space by a primitive cell.

<span class="mw-page-title-main">Monoclinic crystal system</span> One of the 7 crystal systems in crystallography

In crystallography, the monoclinic crystal system is one of the seven crystal systems. A crystal system is described by three vectors. In the monoclinic system, the crystal is described by vectors of unequal lengths, as in the orthorhombic system. They form a parallelogram prism. Hence two pairs of vectors are perpendicular, while the third pair makes an angle other than 90°.

In crystallography, the orthorhombic crystal system is one of the 7 crystal systems. Orthorhombic lattices result from stretching a cubic lattice along two of its orthogonal pairs by two different factors, resulting in a rectangular prism with a rectangular base (a by b) and height (c), such that a, b, and c are distinct. All three bases intersect at 90° angles, so the three lattice vectors remain mutually orthogonal.

<span class="mw-page-title-main">Bravais lattice</span> Geometry and crystallography point array

In geometry and crystallography, a Bravais lattice, named after Auguste Bravais, is an infinite array of discrete points generated by a set of discrete translation operations described in three dimensional space by

In crystallography, a crystallographic point group is a three dimensional point group whose symmetry operations are compatible with a three dimensional crystallographic lattice. According to the crystallographic restriction it may only contain one-, two-, three-, four- and sixfold rotations or rotoinversions. This reduces the number of crystallographic point groups to 32. These 32 groups are one-and-the-same as the 32 types of morphological (external) crystalline symmetries derived in 1830 by Johann Friedrich Christian Hessel from a consideration of observed crystal forms.

<span class="mw-page-title-main">Triclinic crystal system</span> One of the seven crystal systems

In crystallography, the tricliniccrystal system is one of the 7 crystal systems. A crystal system is described by three basis vectors. In the triclinic system, the crystal is described by vectors of unequal length, as in the orthorhombic system. In addition, the angles between these vectors must all be different and may not include 90°.

<span class="mw-page-title-main">Trapezohedron</span> Polyhedron made of congruent kites arranged radially

In geometry, an n-gonaltrapezohedron, n-trapezohedron, n-antidipyramid, n-antibipyramid, or n-deltohedron is the dual polyhedron of an n-gonal antiprism. The 2n faces of an n-trapezohedron are congruent and symmetrically staggered; they are called twisted kites. With a higher symmetry, its 2n faces are kites.

<span class="mw-page-title-main">Miller index</span> Description of crystal lattice planes

Miller indices form a notation system in crystallography for lattice planes in crystal (Bravais) lattices.

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In geometry, a point group is a mathematical group of symmetry operations (isometries in a Euclidean space) that have a fixed point in common. The coordinate origin of the Euclidean space is conventionally taken to be a fixed point, and every point group in dimension d is then a subgroup of the orthogonal group O(d). Point groups are used to describe the symmetries of geometric figures and physical objects such as molecules.

<span class="mw-page-title-main">Centrosymmetry</span> Type of symmetry

In crystallography, a centrosymmetric point group contains an inversion center as one of its symmetry elements. In such a point group, for every point in the unit cell there is an indistinguishable point. Such point groups are also said to have inversion symmetry. Point reflection is a similar term used in geometry. Crystals with an inversion center cannot display certain properties, such as the piezoelectric effect.

<span class="mw-page-title-main">Hermann–Mauguin notation</span> Notation to represent symmetry in point groups, plane groups and space groups

In geometry, Hermann–Mauguin notation is used to represent the symmetry elements in point groups, plane groups and space groups. It is named after the German crystallographer Carl Hermann and the French mineralogist Charles-Victor Mauguin. This notation is sometimes called international notation, because it was adopted as standard by the International Tables For Crystallography since their first edition in 1935.

The Pearson symbol, or Pearson notation, is used in crystallography as a means of describing a crystal structure, and was originated by W. B. Pearson. The symbol is made up of two letters followed by a number. For example:

<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 6 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.

In mathematics, a layer group is a three-dimensional extension of a wallpaper group, with reflections in the third dimension. It is a space group with a two-dimensional lattice, meaning that it is symmetric over repeats in the two lattice directions. The symmetry group at each lattice point is an axial crystallographic point group with the main axis being perpendicular to the lattice plane.

In solid state physics, the magnetic space groups, or Shubnikov groups, are the symmetry groups which classify the symmetries of a crystal both in space, and in a two-valued property such as electron spin. To represent such a property, each lattice point is colored black or white, and in addition to the usual three-dimensional symmetry operations, there is a so-called "antisymmetry" operation which turns all black lattice points white and all white lattice points black. Thus, the magnetic space groups serve as an extension to the crystallographic space groups which describe spatial symmetry alone.

References

  1. Flack, Howard D. (2003). "Chiral and Achiral Crystal Structures". Helvetica Chimica Acta. 86 (4): 905–921. CiteSeerX   10.1.1.537.266 . doi:10.1002/hlca.200390109.
  2. Hahn 2002, p. 804.
  3. 1 2 Whittaker, E. J. W. (1985). An Atlas of Hyperstereograms of the Four-Dimensional Crystal Classes. Oxford: Clarendon Press. ISBN   978-0-19-854432-6. OCLC   638900498.
  4. 1 2 Brown, H.; Bülow, R.; Neubüser, J.; Wondratschek, H.; Zassenhaus, H. (1978). Crystallographic Groups of Four-Dimensional Space. New York: Wiley. ISBN   978-0-471-03095-9. OCLC   939898594.

Works cited