Coordination Geometry - Table of Coordination Geometries

Table of Coordination Geometries

A table of the coordination geometries encountered is shown below with examples of their occurrence in complexes found as discrete units in compounds and coordination spheres around atoms in crystals (where there is no discrete complex).

Coordination number Geometry Examples of discrete (finite) complex Examples in crystals
2 linear Ag(CN)2− in KAg(CN)2 Ag in silver cyanide,
Au in AuI
3 trigonal planar Cu(CN)32− in Na2Cu(CN)3.3H2O O in TiO2 rutile structure
4 tetrahedral CoCl42− Zn and S in zinc sulfide, Si in silicon dioxide
4 square planar AgF4 CuO
5 trigonal bipyramidal SnCl5
5 square pyramidal InCl52− in (NEt4)2InCl5
6 octahedral Fe(H2O)62+ Na and Cl in NaCl
6 trigonal prismatic Mo(SCHCHS)3 As in NiAs, Mo in MoS2
7 pentagonal bipyramidal ZrF73− in (NH4)3ZrF7 Pa in PaCl5
7 face capped octahedral La in A-La2O3
7 trigonal prismatic, square face monocapped TaF72− in K2TaF7
8 cubic Caesium chloride, calcium fluoride
8 square antiprismatic TaF83− in Na3TaF8 Thorium(IV) iodide
8 dodecahedral
(note: whilst this is the term generally
used, the correct term is "bisdisphenoid"
or "snub disphenoid" as this polyhedron is a deltahedron)
Mo(CN)84− in K4.2H2O Zr in K2ZrF6
8 hexagonal bipyramidal N in Li3N
8 octahedral, trans-bicapped Ni in nickel arsenide, NiAs; 6 As neighbours + 2 Ni capping
8 trigonal prismatic, triangular face bicapped Ca in CaFe2O4
8 trigonal prismatic, square face bicapped PuBr3
9 trigonal prismatic, square face tricapped 2− in potassium nonahydridorhenate SrCl2.6H2O, Th in RbTh3F13
9 monocapped square antiprismatic La in LaTe2
10 bicapped square antiprismatic Th(C2O4)42−
11 Th in (NO3− is bidentate)
12 icosahedron Th in Th(NO3)62− ion in Mg.8H2O
12 cuboctahedron ZrIV(η3−(BH4)4) atoms in fcc metals e.g. Ca
12 anticuboctahedron (triangular orthobicupola) atoms in hcp metals e.g. Sc
14 bicapped hexagonal antiprismatic U(BH4)4

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