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YAs is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Y–As bond lengths are 3.11 Å. As3- is bonded in a body-centered cubic geometry to eight equivalent Y3+ atoms.
YAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing YAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–As bond lengths are 2.92 Å. As3- is bonded to six equivalent Y3+ atoms to form a mixture of corner and edge-sharing AsY6 octahedra. The corner-sharing octahedral tilt angles are 0°.
YAs3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent As1- atoms to form a mixture of distorted face and corner-sharing YAs12 cuboctahedra. There are six shorter (3.02 Å) and six longer (3.18 Å) Y–As bond lengths. As1- is bonded in a 6-coordinate geometry to four equivalent Y3+ and two equivalent As1- atoms. Both As–As bond lengths are 2.66 Å.