NaCl Structure Crystals

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NaCl Structure Crystals

The bond modulus may be calculated from the bulk modulus, B, of the crystal [20] yielding the relationship

The results for the NaCl structure crystals studied are shown in Table .

Crystal B ( Pa) (ref [54]) (Å) k ( )

NaF 0.18 4.83 2.31 200

NaCl 0.22 2.40 2.82 122

NaI 0.19 1.60 3.24 93

MgO 0.34 15.9 2.11 604

TiC 0.52 24.2 1.57 684

MgS 0.40 8.9 2.60 417

Table: Mulliken overlap populations, bulk moduli, equilibrium bond lengths and bond moduli for a series of NaCl structure crystals.

**Table:** Mulliken overlap populations, bulk moduli, equilibrium bond lengths and bond moduli for a series of NaCl structure crystals.
Crystal		B ( Pa) (ref [54])	(Å)	k ( )
NaF	0.18	4.83	2.31	200
NaCl	0.22	2.40	2.82	122
NaI	0.19	1.60	3.24	93
MgO	0.34	15.9	2.11	604
TiC	0.52	24.2	1.57	684
MgS	0.40	8.9	2.60	417

Matthew Segall
Wed Sep 24 12:24:18 BST 1997