This chapter aims to establish a link between material compositions, analytical methods and advanced applications for volume holography. It provides basics on volume holography, serving as a compendium on volume holographic grating formation, specific material requirements for volume holography and diffractive properties of the different types of volume holographic gratings. The particular significance of three-dimensional optical structuring for the final optical functionality is highlighted. In this context, the interrelation between function and structure of volume holograms is investigated with view to research on and development of novel materials, methods and applications. Particular emphasis will be placed on analytical methods, assuming that they provide access for a deeper understanding of volume holographic grating formation, which appears to be prerequisite for the design of novel material systems for advanced applications.