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A compound semiconductor built from group-III and group-V elements, such as gallium arsenide. Many common members have a zinc blende structure, while other materials or growth conditions give a wurtzite structure. The chemical family alone does not fix a direct rather than indirect gap or a particular band ordering.

For a representative unstrained zinc blende structure III-V semiconductor such as gallium arsenide, take the valence-band maximum at the Gamma point as zero. The near-centre ordering is an s-like ${\Gamma }_{6c}$ conduction band doublet above a p-like ${\Gamma }_{8v}$ valence quartet. Spin-orbit interaction puts the p-like ${\Gamma }_{7v}$ doublet below the quartet by ${\Delta }_{\mathrm{so}}$. These are the zone-centre bands of a zinc-blende III-V semiconductor.

The $j=3/2$ quartet produces the heavy-hole and light-hole bands. Along a chosen symmetry direction, their components have $|m_j|=3/2$ and $1/2$ respectively; their different curvatures define different positive hole effective masses. They are degenerate at zero wavevector in the unstrained cubic crystal, but separate away from it. The $j=1/2$ doublet is the split-off valence band. To leading isotropic order,Valence-band curvature is negative for electrons; the corresponding hole masses are positive. Real valence bands warp with direction, so these are illustrative effective-mass parabolas rather than an exact spherical band structure.

The k·p perturbation theory couples the s-like and p-like states through momentum matrix elements. It controls the conduction-band mass, nonparabolicity and mixing of hole characters. Strain or quantum confinement can split the heavy/light degeneracy even at zero in-plane wavevector. The lack of inversion symmetry in zinc blende also permits spin splitting away from the zone centre; time-reversal symmetry still protects the zone-centre doublets.

The s–p electric-dipole transitions near $\Gamma$ are optically important and produce structures at $E_g$ and $E_g+{\Delta }_{\mathrm{so}}$ with polarization-dependent weights. For direct band gap compounds the conduction minimum is also at $\Gamma$, allowing near-edge absorption and emission without a momentum-supplying phonon. Not every III-V compound is direct-gap, and wurtzite materials have an additional crystal-field splitting; the cubic scheme should not be imposed on every III-V semiconductor. ^[ref]

A Bravais lattice is the translation set $\Lambda =\{n_1{\mathbf{a}}_1+n_2{\mathbf{a}}_2+n_3{\mathbf{a}}_3:n_i\in \mathbb{Z}\}$ generated by primitive lattice translation vectors. Translating by any member of $\Lambda$ leaves its surroundings equivalent. A crystal structure requires both this lattice and an atomic basis attached to every lattice point. The basis can lower the symmetry of the bare point lattice; a familiar-looking geometrical arrangement of atoms is not necessarily itself a Bravais lattice. For example, the diamond cubic structure is a face-centred cubic lattice with an identical-atom basis at fractional positions $(0,0,0)$ and $(1/4,1/4,1/4)$ in conventional cubic coordinates. The displacement between those two basis atoms is not itself a lattice translation.

The seven three-dimensional crystal systems are triclinic, monoclinic, orthorhombic, tetragonal, trigonal, hexagonal and cubic; the distinct translation types give 14 Bravais lattices. A conventional cell can contain several lattice points, while a primitive unit cell contains one. Simple cubic primitive lattice translation vectors can be chosen along the cube edges; for face-centred cubic they can be $(a/2)(0,1,1)$, $(a/2)(1,0,1)$ and $(a/2)(1,1,0)$. Their primitive volume is $a^3/4$, explaining the four lattice points per conventional face-centred cell.

A crystallographic point group comprises the orthogonal parts of the crystal's spatial symmetry operations. It constrains possible rotations, reflections, inversion and their combinations, while forgetting translations. Lattice preservation restricts proper rotational orders in three dimensions to $1,2,3,4,6$; a fivefold axis cannot be a symmetry of a periodic three-dimensional lattice. One quick argument restricts a rotation's integral lattice representation through $1+2\cos \theta$, an integer trace, producing these orders. There are 32 crystallographic point-group types. Examples are the cubic full octahedral group $O_h$ with Hermann–Mauguin symbol $m\bar{3}m$, the tetrahedral class $T_d$ with symbol $\bar{4}3m$, and the polar tetragonal class $C_{4v}$ with symbol $4mm$.

The space group retains the full isometry. In Seitz notation $\{R\mid \mathbf{t}\}$ acts by $\mathbf{x}\mapsto R\mathbf{x}+\mathbf{t}$, and multiplication isIts translation subgroup is normal and the quotient is the crystallographic point group. A screw axis combines rotation with translation along the axis; for example, applying a $2_1$ screw twice gives one whole lattice translation. A glide plane combines reflection with a translation parallel to the plane; applying the glide twice likewise gives a translation. These operations can preserve the complete crystal without their rotation or reflection alone preserving it.

A symmorphic space group admits an origin and representatives for which the point-group operations have no translation component. A nonsymmorphic space group has essential fractional translations that cannot all be removed by moving the origin. There are 230 three-dimensional space-group types, distinguished more finely than their point groups. These counts refer to ordinary, nonmagnetic periodic space groups; magnetic and aperiodic generalizations are different classifications.^[ref]

For concrete comparisons, a monatomic simple-cubic crystal has space group $Pm\bar{3}m$ and point group $m\bar{3}m$. Rock salt has a face-centred cubic lattice, a two-species basis and symmorphic space group $Fm\bar{3}m$. Diamond has the same cubic point group and translation-lattice type, but its basis leads to nonsymmorphic $Fd\bar{3}m$. Replacing the two diamond basis sites by distinct species gives the zinc blende structure, exemplified by GaAs, with $F\bar{4}3m$ and point group $\bar{4}3m$; inversion that would interchange the species is no longer a symmetry. The lattice specifies translations, the point group specifies the linear symmetry classes, and the space group specifies their complete spatial implementation. These examples show why none alone uniquely describes an atomic structure.

Gallium phosphide forms a tetrahedral network of polar covalent bonds, with electron density displaced toward phosphorus. The alternating diamond-related structure is the zinc blende structure: each Ga has four P neighbours and each P has four Ga neighbours. A local orbital hybridization picture combines outward-pointing s,p-derived orbitals into four approximately $s{p}^3$ bond directions; in the crystal these interactions form extended occupied bonding bands.

Since ${\chi }_{\mathrm{Allen}}(\mathrm{P})-{\chi }_{\mathrm{Allen}}(\mathrm{Ga})=2.25-1.76=0.49>0$, P attracts shared electron density more strongly. Write ${\mathrm{Ga}}^{\delta +}-{\mathrm{P}}^{\delta -}$ to indicate an ionic contribution superposed on covalent bonds. Formal oxidation states Ga($+3$) and P($-3$) are electron-assignment labels, not proof of completely transferred charges or a purely ionic crystal.

Neither atom requires $3d$ hybrids for these four bonds. The Ga $3d^{10}$ shell is filled and relatively core-like; the relevant Ga valence orbitals are $4s,4p$. P uses principally $3s,3p$; its empty $3d$ orbitals are too high in energy to be a necessary bonding set. Detailed band calculations may include d-state mixing or core–valence effects, but that does not turn the tetrahedral bonding into an expanded-valence d-hybrid construction.

The zinc blende structure has an FCC sulfur sublattice and zinc on half its tetrahedral sites. One conventional unit cell uses S at $(0,0,0),(1/2,1/2,0),(1/2,0,1/2),(0,1/2,1/2)$ and Zn at those positions displaced by $(1/4,1/4,1/4)$, reduced modulo one. The wurtzite structure has ABAB sulfur layers, instead of ABCABC layers. One hexagonal-cell convention uses S at $(0,0,0),(2/3,1/3,1/2)$ and Zn at $(0,0,u),(2/3,1/3,1/2+u)$, with ideal $u=3/8$. Looking along $[001]$ superposes S and Zn in that latter coordinate convention; the height labels distinguish them.

The closest-packed sulfur planes are $\{111\}$, with four distinct plane orientations, for zinc blende structure, and $\{001\}$, with one orientation, for wurtzite structure. Opposite normals describe the same unoriented plane orientation. Hexagonal four-index notation writes the latter basal family as $\{0001\}$.