Dr. Anthony Haynes

Department of Chemistry, University of Sheffield


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CHM1001.4: Hydrogen and the s- and p-block elements

Ionic lattice structures

Also see an excellent resource on Solid State Structures from the University of Sydney

Cubic lattices
The sodium chloride (rock-salt) lattice structure

An FCC lattice of Cl- anions with Na+ cations in all the octahedral holes (or vice versa).
Both Na+ and Cl- have coordination number 6.

Also adopted by a wide variety of ionic compounds.





The caesium chloride lattice structure

A simple cubic lattice of Cl- anions with Cs+ cations in all the cubic holes (or vice versa).
Both Cs+ and Cl- have coordination number 8.





Zinc sulfide - zinc blende (sphalerite) structure

An FCC lattice of S2- anions with Zn2+ cations in half of the tetrahedral holes or vice versa.
Both Zn2+ and S2- have coordination number 4.

Also adopted by CuCl, CdS, HgS, GaP and InAs.





Calcium fluoride (fluorite) structure

An FCC lattice of Ca2+ cations with F- anions in all of the tetrahedral holes.
Coordination numbers are 8 for Ca2+ and 4 for F-.

Also adopted by BaCl2, PbO2, HgF2, and UO2.

The antifluorite structure is analogous but with the positions of cations and anions reversed.  This structure is adopted by K2O, K2S, Li2O, Na2O and Na2S.






Non-cubic lattices
Zinc sulfide - wurtzite structure

An HCP lattice of S2- anions with Zn2+ cations in half of the tetrahedral holes  or vice versa.
Both Zn2+ and S2- have coordination number 4.

Also adopted by ZnO, BeO, AgI, and one polymorph of SiC.





Titanium dioxide (rutile) structure

An HCP lattice of O2- anions with Ti4+ cations in half of the octahedral holes.
Coordination numbers are 6 for Ti4+ and 3 for O2-.

Also adopted by SnO2, MgF2, and MnO2.






A polymeric structure
Beryllium dichloride structure

Due to the small, highly polarising naure of the Be2+ cation, some covalent character is present and BeCl2 doesn't have a regular ionic lattice. Instead it is composed of polymeric chains with Be atoms linked by bridging chlorides. At a certain orientation you can look directly down the chains, which are arranged parallel to each other. A single chain from this stucture is shown below.




A single (BeCl2)n chain

Each Be is linked to four Cl arranged tetrahedrally.

A similar polymeric structure is adopted by BeH2





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