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Crystal system

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Classification of crystalline materials by their three-dimensional structural geometry
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Thediamond crystal structure belongs to the face-centeredcubic lattice, with a repeated two-atom pattern.

Incrystallography, acrystal system is a set ofpoint groups (a group of geometric symmetries with at least one fixed point). Alattice system is a set ofBravais lattices (an infinite array of discrete points).Space groups (symmetry groups of a configuration in space) 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 acrystal family.

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

Classifications

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Further information:Space group § Classification systems

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

Lattice system

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

Crystal system

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A crystal system is a set of point groups in which the point groups themselves and their correspondingspace groups are assigned to a lattice system. Of the 32crystallographic 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

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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.

Hexagonalhanksite crystal, with threefoldc-axis symmetry

Comparison

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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 groupPoint groupsSpace groupsBravais latticesLattice system
TriclinicTriclinicNone221Triclinic
MonoclinicMonoclinic1 twofoldaxis of rotation or 1mirror plane3132Monoclinic
OrthorhombicOrthorhombic3 twofold axes of rotation or 1 twofold axis of rotation and 2 mirror planes3594Orthorhombic
TetragonalTetragonal1 fourfold axis of rotation7682Tetragonal
HexagonalTrigonal1 threefold axis of rotation571Rhombohedral
181Hexagonal
Hexagonal1 sixfold axis of rotation727
CubicCubic4 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

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Main article:Crystallographic point group

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 systemPoint group / Crystal classSchönfliesHermann–MauguinOrbifoldCoxeterPoint symmetryOrderAbstract group
triclinicpedialC1111[ ]+enantiomorphicpolar1trivialZ1{\displaystyle \mathbb {Z} _{1}}
pinacoidalCi (S2)11x[2,1+]centrosymmetric2cyclicZ2{\displaystyle \mathbb {Z} _{2}}
monoclinicsphenoidalC2222[2,2]+enantiomorphicpolar2cyclicZ2{\displaystyle \mathbb {Z} _{2}}
domaticCs (C1h)m*11[ ]polar2cyclicZ2{\displaystyle \mathbb {Z} _{2}}
prismaticC2h2/m2*[2,2+]centrosymmetric4Klein fourV=Z2×Z2{\displaystyle \mathbb {V} =\mathbb {Z} _{2}\times \mathbb {Z} _{2}}
orthorhombicrhombic-disphenoidalD2 (V)222222[2,2]+enantiomorphic4Klein fourV=Z2×Z2{\displaystyle \mathbb {V} =\mathbb {Z} _{2}\times \mathbb {Z} _{2}}
rhombic-pyramidalC2vmm2*22[2]polar4Klein fourV=Z2×Z2{\displaystyle \mathbb {V} =\mathbb {Z} _{2}\times \mathbb {Z} _{2}}
rhombic-dipyramidalD2h (Vh)mmm*222[2,2]centrosymmetric8V×Z2{\displaystyle \mathbb {V} \times \mathbb {Z} _{2}}
tetragonaltetragonal-pyramidalC4444[4]+enantiomorphicpolar4cyclicZ4{\displaystyle \mathbb {Z} _{4}}
tetragonal-disphenoidalS442x[2+,2]non-centrosymmetric4cyclicZ4{\displaystyle \mathbb {Z} _{4}}
tetragonal-dipyramidalC4h4/m4*[2,4+]centrosymmetric8Z4×Z2{\displaystyle \mathbb {Z} _{4}\times \mathbb {Z} _{2}}
tetragonal-trapezohedralD4422422[2,4]+enantiomorphic8dihedralD8=Z4Z2{\displaystyle \mathbb {D} _{8}=\mathbb {Z} _{4}\rtimes \mathbb {Z} _{2}}
ditetragonal-pyramidalC4v4mm*44[4]polar8dihedralD8=Z4Z2{\displaystyle \mathbb {D} _{8}=\mathbb {Z} _{4}\rtimes \mathbb {Z} _{2}}
tetragonal-scalenohedralD2d (Vd)42m or4m22*2[2+,4]non-centrosymmetric8dihedralD8=Z4Z2{\displaystyle \mathbb {D} _{8}=\mathbb {Z} _{4}\rtimes \mathbb {Z} _{2}}
ditetragonal-dipyramidalD4h4/mmm*422[2,4]centrosymmetric16D8×Z2{\displaystyle \mathbb {D} _{8}\times \mathbb {Z} _{2}}
hexagonaltrigonaltrigonal-pyramidalC3333[3]+enantiomorphicpolar3cyclicZ3{\displaystyle \mathbb {Z} _{3}}
rhombohedralC3i (S6)33x[2+,3+]centrosymmetric6cyclicZ6=Z3×Z2{\displaystyle \mathbb {Z} _{6}=\mathbb {Z} _{3}\times \mathbb {Z} _{2}}
trigonal-trapezohedralD332 or 321 or 312322[3,2]+enantiomorphic6dihedralD6=Z3Z2{\displaystyle \mathbb {D} _{6}=\mathbb {Z} _{3}\rtimes \mathbb {Z} _{2}}
ditrigonal-pyramidalC3v3m or 3m1 or 31m*33[3]polar6dihedralD6=Z3Z2{\displaystyle \mathbb {D} _{6}=\mathbb {Z} _{3}\rtimes \mathbb {Z} _{2}}
ditrigonal-scalenohedralD3d3m or3m1 or31m2*3[2+,6]centrosymmetric12dihedralD12=Z6Z2{\displaystyle \mathbb {D} _{12}=\mathbb {Z} _{6}\rtimes \mathbb {Z} _{2}}
hexagonalhexagonal-pyramidalC6666[6]+enantiomorphicpolar6cyclicZ6=Z3×Z2{\displaystyle \mathbb {Z} _{6}=\mathbb {Z} _{3}\times \mathbb {Z} _{2}}
trigonal-dipyramidalC3h63*[2,3+]non-centrosymmetric6cyclicZ6=Z3×Z2{\displaystyle \mathbb {Z} _{6}=\mathbb {Z} _{3}\times \mathbb {Z} _{2}}
hexagonal-dipyramidalC6h6/m6*[2,6+]centrosymmetric12Z6×Z2{\displaystyle \mathbb {Z} _{6}\times \mathbb {Z} _{2}}
hexagonal-trapezohedralD6622622[2,6]+enantiomorphic12dihedralD12=Z6Z2{\displaystyle \mathbb {D} _{12}=\mathbb {Z} _{6}\rtimes \mathbb {Z} _{2}}
dihexagonal-pyramidalC6v6mm*66[6]polar12dihedralD12=Z6Z2{\displaystyle \mathbb {D} _{12}=\mathbb {Z} _{6}\rtimes \mathbb {Z} _{2}}
ditrigonal-dipyramidalD3h6m2 or62m*322[2,3]non-centrosymmetric12dihedralD12=Z6Z2{\displaystyle \mathbb {D} _{12}=\mathbb {Z} _{6}\rtimes \mathbb {Z} _{2}}
dihexagonal-dipyramidalD6h6/mmm*622[2,6]centrosymmetric24D12×Z2{\displaystyle \mathbb {D} _{12}\times \mathbb {Z} _{2}}
cubictetartoidalT23332[3,3]+enantiomorphic12alternatingA4{\displaystyle \mathbb {A} _{4}}
diploidalThm33*2[3+,4]centrosymmetric24A4×Z2{\displaystyle \mathbb {A} _{4}\times \mathbb {Z} _{2}}
gyroidalO432432[4,3]+enantiomorphic24symmetricS4{\displaystyle \mathbb {S} _{4}}
hextetrahedralTd43m*332[3,3]non-centrosymmetric24symmetricS4{\displaystyle \mathbb {S} _{4}}
hexoctahedralOhm3m*432[4,3]centrosymmetric48S4×Z2{\displaystyle \mathbb {S} _{4}\times \mathbb {Z} _{2}}

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 iscentrosymmetric. Otherwise it isnon-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-centrosymmetricachiral structure. If the inverted structure cannot be rotated to align with the original structure, then the structure ischiral orenantiomorphic and its symmetry group isenantiomorphic.[1]

A direction (meaning a line without an arrow) is calledpolar if its two-directional senses are geometrically or physically different. A symmetry direction of a crystal that is polar is called apolar axis.[2] Groups containing a polar axis are calledpolar. 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 adielectric polarization as inpyroelectric 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.

Thecrystal structures of chiral biological molecules (such asprotein structures) can only occur in the 65enantiomorphic space groups (biological molecules are usuallychiral).

Bravais lattices

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Main article:Bravais lattice

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)CiTriclinic

aP

Monoclinic (m)C2hMonoclinic, simple

mP

Monoclinic, centered

mS

Orthorhombic (o)D2hOrthorhombic, simple

oP

Orthorhombic, base-centered

oS

Orthorhombic, body-centered

oI

Orthorhombic, face-centered

oF

Tetragonal (t)D4hTetragonal, simple

tP

Tetragonal, body-centered

tI

Hexagonal (h)RhombohedralD3dRhombohedral

hR

HexagonalD6hHexagonal

hP

Cubic (c)OhCubic, simple

cP

Cubic, body-centered

cI

Cubic, face-centered

cF

Ingeometry andcrystallography, aBravais lattice is a category oftranslativesymmetry groups (also known aslattices) in three directions.

Such symmetry groups consist of translations by vectors of the form

R =n1a1 +n2a2 +n3a3,

wheren1,n2, andn3 areintegers anda1,a2, anda3 are three non-coplanar vectors, calledprimitive vectors.

These lattices are classified by thespace 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 includingquasicrystals) 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 theprimitive cell. Depending on the symmetry of a crystal or other pattern, thefundamental domain is again smaller, up to a factor 48.

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

In other dimensions

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Two-dimensional space

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In two-dimensional space, there are four crystal systems (oblique, rectangular, square, hexagonal), four crystal families (oblique, rectanguar, square, hexagonal), and four lattice systems (oblique,rectangular,square, andhexagonal).[3][4]

Crystal familyCrystal systemCrystallographic point groupsNo. of plane groupsBravais lattices
Oblique (monoclinic)Oblique1, 22mp
Rectangular (orthorhombic)Rectangularm, 2mm7op,oc
Square (tetragonal)Square4, 4mm3tp
HexagonalHexagonal3, 6, 3m, 6mm5hp
Total410175

Four-dimensional space

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‌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°
cosδ = cosβ − cosγ
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°
cosγ = −1/2cosβ
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
cosβ = −1/2 − cosα
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
cosα = −1/4
23Hypercubica =b =c =dα =β =γ =δ =ε =ζ = 90°

The names here are given according to Whittaker.[5] They are almost the same as in Brownet al.,[6] with exception for names of the crystal families 9, 13, and 22. The names for these three families according to Brownet al. are given in parentheses.

The relation between four-dimensional crystal families, crystal systems, and lattice systems is shown in the following table.[5][6] 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

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  • Crystal cluster – Group of crystals formed in an open space with form determined by their internal crystal structure
  • Crystal structure – Ordered arrangement of atoms, ions, or molecules in a crystalline material
  • List of space groups
  • Polar point group – symmetry in geometry and crystallographyPages displaying wikidata descriptions as a fallback

References

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  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. ^Giacovazzo, Carmelo (10 February 2011).Fundamentals of Crystallography (3rd ed.). Oxford University Press.ISBN 978-0-19-957366-0.
  4. ^Hahn, Theo (2005).International Tables for Crystallography Volume A: Space-Group Symmetry (5th ed.). Table 2.1.2.1: Springer.{{cite book}}: CS1 maint: location (link)
  5. ^abWhittaker, 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.
  6. ^abBrown, 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

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External links

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