Three examples are presented
:
glassy SiO2,
ZnCl2 and NaPbM2F9 (M = Fe, V).
Coordinations were constrained
:
SiO4 and ZnCl4
tetrahedra ; MF6 octahedra
So that the final RMC models keep essentially the crystal structure features of the RDM starting models, being the phases in which devitrify the glasses, in all cases.
Conditions for building
the RMC models
from the RDM ones
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Final reliabilities Rp
(%).
N = neutron, X = X-ray
; M = Fe, V.
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2.37 (X) |
2.45 (N, V) 5.07 (X, Fe) |
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D.A. Keen & R.L. McGreevy Nature 344 (1990) 423. |
1.00 (N, V) 1.14 (X, Fe) |
starting models |
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2.00 (N) |
1.22 (N, V) 1.75 (X, Fe) |