Coordination polyhedra and voids

 name symmetryorbit moleculecage symmetryorbit crystal void
[1l]single neighbour C∞v cFH        
[2l]two atoms collinear D∞hc CO2         
[2n]two atoms non-collinear C2vσvH2O         
[3l]triangle coplanar D3hc2SO3         
[3n] triangle non-coplanar C3v σv NH3          
[4y]triangular pyramid C3vσv,c3 CH3F         
[4t] tetrahedron Tdc3CH4 P4Fd-3m adia 4c in fcc
[4l]square coplanar D4hc2 XeF4        
[4n]square non-coplanar C4vσv          
[5y]tetragonal pyramid C4vσv,c4 XeOF4         
[5l]pentagon coplanar D5hc2          
[5by] trigonal bipyramid D3hc2,c3 PF5         
[6o] octahedron Ohc4 SF6 Pm-3m asc 4b in fcc
[6p] trigonal prism D3hσv          
[6ap] trigonal antiprism D3dσv  C6H12 R-3ma sr 
[6l]hexagon coplanar D6hc2  C6H6       
[7by]pentagonal bipyramid             
[6p1c]monocapped trigonal prism             
[6p2c]bicapped trigonal prism             
[8p]tetragonal prism D4hσv         
[8ap]tetragonal antiprism D4dσv  S8       
[8cb] cube Ohc3  As8,C8H8 Im-3ma bcc  
[8acb] anticube (square antiprism) D4d σvIF8-        
[8do] dodecahedron with triangular faces D2dσvv          
[8by]hexagonal bipyramid             
[6p3c]tricapped trigonal prism             
[6o4t]  Tdc3,c2   C10H16       
[12co] cuboctahedron Ohc2    Fm-3m afcc  
[12aco] anticuboctahedron (twinned cuboctahedron)      P63/mmc c hcp  
[12i] icosahedron Yhc5Al13 Si12      
[12pi] pseudoicosahedron Thσv          
[12tt] truncated tetrahedron Tdσv          
[12p]hexagonal prism D6hσv Cr(C6H6)2        
[12ap]hexagonal antiprism D6d           
[10p2c]bicapped pentagonal prism            
[14FK]rhombic dodecahedron            
[20do] dodecahedronYh c3   C20      

References