Boron arsenate (BAsO4) is a β‐cristobalite‐like material, which crystallizes in the space group. However, unlike β‐cristobalite itself, BAsO4 is well characterized and known to be stable and at ambient conditions. This work presents the results of extensive density functional theory (DFT)‐based simulations aimed at elucidating the nanoscale deformations that such crystals undergo when subjected to uniaxial tensile and compressive loads along their crystallographic [001] c‐direction. It is shown that such uniaxial loading results primarily in intra‐tetrahedral deformations rather than their tilting/rotations (which causes the auxeticity in the (001) plane). Through their analysis in isolation from other modes of deformation, this study gives a much better insight into such intra‐tetrahedral deformations and helps explain better the cause of the measured negative linear compressibility in the c‐direction at elevated pressures, which recently has been attributed to a “demi wine‐rack” mechanism caused by the same intra‐tetrahedral deformations.