The
average and local structure of the oxides Ba2SiO4, BaAl2O4, SrAl2O4, and
Y2SiO5 are examined to evaluate crystal rigidity
in light of recent studies suggesting that highly connected and rigid
structures yield the best phosphor hosts. Simultaneous momentum-space
refinements of synchrotron X-ray and neutron scattering yield accurate
average crystal structures, with reliable atomic displacement parameters.
The Debye temperature ΘD, which has proven to be
a useful proxy for structural rigidity, is extracted from the experimental
atomic displacement parameters and compared with predictions from
density functional theory calculations and experimental low-temperature
heat capacity measurements. The role of static disorder on the measured
displacement parameters, and the resulting Debye temperatures, are
also analyzed using pair distribution function of total neutron scattering,
as refined over varying distance ranges of the pair distribution function.
The interplay between optimal bonding in the structure, structural
rigidity, and correlated motion in these structures is examined, and
the different contributions are delineated.