Employee satisfaction and productivity are highly dependent on the alignment between the design of a workplace, the culture, the work activities, and the technology used, and while the understanding of such interactions has received increased interest in fields including architecture, health, and psychology, very little is known in relation to virtual work and reality (VR). VR workplaces have the potential to become an integral part of new work arrangements, enabling employees to execute teamwork and task work through (mature) simulated environments designed to meet individual, team, and organizational productivity needs. Thus, the aim of this study was three-fold: In study 1, we gained, through expert interviews, insights into contemporary thinking in workplace design, and gathered a greater understanding of the dimensions of design, behaviors, environments, and tools that affect collaborative work and productivity. In study 2, we observed knowledge workers in home environments and open, closed, and balanced office layouts, in order to understand the potential for successful integration in VR. In study 3, we evaluated environmental needs and opportunities through VR. Based on our findings, we developed an Ecology of Work model, combining work systems and pillars of performance success. These are followed by discussions on design needs and implications for VR.