Molecules grouped by coordination

Single coordinating atom

1 single neighbour [1l] AV C∞v FH, LiH
A2 D∞h H2, N2, O2, F2
2 linear coordination [2l] AV2 D∞h CO2, BeH2
3 triangle [3l] AV3 D3h BF3, BH3, SO3 NO3H
AV2X C2v O3, SO2
4 tetrahedron [4t] AV4 Td CH4, SF3N SO4H2, BeF4Li2
AV3X C3v NH3, PCl3, CH3F IO3H
AV2X2 C2v OH2, SO2Cl2
5 trigonal bipyramid [5by] AV3V'2 D3h PF5
AV3V'X' C3v XeF2
AV2XV'2 D1h ClF3, SF4
6 octahedron [6o] AV6 Oh SF6
AV4X2 D4h
AV4XY C4v IF5, XeOF4
AV3X3 C3v
AV4X2 C2v

Two coordinating atoms

2+2 linear AV-AV D∞h CH-CH
    AV-BX C∞v  
3+2 mixed AV2-A'V' C2v  
3+3c linear prism AV2-AV2 D2h CH2-CH2, BF2-BF2
    AV2-A'V'2 C2v  
4+2 mixed AV3-A'V' C3v CH3-CN
4+3 mixed AV3-A'V'2 C1v CH3-CO2
4+4t trigonal antiprism [6ap] AV3-AV3 D3d CH3-CH3, OH-OH, NH-NH, NH2-NH2
    AV3-A'V'3 C3v NH3-BF3
4+4c trigonal prism [6p] AV3-AV3 D3h NF-NF

Many coordinating atoms

C(CH3)4, CH3-CH-CH2

Transition metal complexes

OsF8, ReF7, UF6

Shell molecules

deformed pentagon C1 C5H10
trigonal antiprism [6ap] D3d C6H12
tetragonal antiprism [8ap] D4d S8
hexagon D6h C6H6
tetrahedron [4t] Td N4, P4
tetrahedron-octahedron [4t+6o] Td C10H16
cube [8c] Oh C8H8
icosahedron [12i] Yh Si12
dodecahedron Yh C20

Aromatic rings

para-C6H4X2, C6H5X, ortho-C6H4X2, meta-C6H4X2

Some special cases

NO2 (have unpaired electron, angle is 134.1), N2O, NO, B2H6, CN-radical, HNF, H2FN


In formulas like "AVnXm", "A" means coordinating atom, "V" means coordinated atom or lone pair, and "X" means its replacement by different atom (or atomic group which has the same effect on symmetry as alone atom).

Note that electronic and thus chemical properties can be different for molecules with the same coordination class. As an example CH3F molecule has tetrahedral coordination but its molecular orbitals and directions of chemical activity corresponds to linear antiprism double coordination (though the distribution of charge around F atom is spherically symmetric).