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P1Y 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 P3- atoms. All Y–P bond lengths are 3.01 Å. P3- is bonded in a body-centered cubic geometry to eight equivalent Y3+ atoms.
YP5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight P+0.60- atoms. There are a spread of Y–P bond distances ranging from 2.94–3.03 Å. There are three inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Y3+ and two P+0.60- atoms to form a mixture of edge and corner-sharing PY2P2 tetrahedra. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.60- site, P+0.60- is bonded to two equivalent Y3+ and two equivalent P+0.60- atoms to form distorted corner-sharing PY2P2 tetrahedra. Both P–P bond lengths are 2.22 Å. In the third P+0.60- site, P+0.60- is bonded to one Y3+ and three P+0.60- atoms to form distorted PYP3 tetrahedra that share corners with nine PY2P2 tetrahedra and an edgeedge with one PYP3 tetrahedra. The P–P bond length is 2.20 Å.
P1Y 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 P3- atoms to form a mixture of edge and corner-sharing YP6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–P bond lengths are 2.84 Å. P3- is bonded to six equivalent Y3+ atoms to form a mixture of edge and corner-sharing PY6 octahedra. The corner-sharing octahedral tilt angles are 0°.
PY3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to eight Y and four equivalent P atoms to form distorted YY8P4 cuboctahedra that share corners with twelve equivalent YY8P4 cuboctahedra, edges with eight equivalent YY8P4 cuboctahedra, edges with eight equivalent PY12 cuboctahedra, faces with four equivalent PY12 cuboctahedra, and faces with ten equivalent YY8P4 cuboctahedra. There are four shorter (3.13 Å) and four longer (3.39 Å) Y–Y bond lengths. All Y–P bond lengths are 3.39 Å. In the second Y site, Y is bonded in a square co-planar geometry to eight equivalent Y and four equivalent P atoms. All Y–P bond lengths are 3.13 Å. P is bonded to twelve Y atoms to form PY12 cuboctahedra that share corners with four equivalent PY12 cuboctahedra, edges with eight equivalent PY12 cuboctahedra, edges with sixteen equivalent YY8P4 cuboctahedra, faces with four equivalent PY12 cuboctahedra, and faces with eight equivalent YY8P4 cuboctahedra.