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YbP3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent P1- atoms to form a mixture of corner and face-sharing YbP12 cuboctahedra. All Yb–P bond lengths are 2.89 Å. P1- is bonded in a square co-planar geometry to four equivalent Yb3+ atoms.
Yb(H2PO2)3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Yb(H2PO2)3 sheets oriented in the (1, 0, 0) direction. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six PH2O2 tetrahedra. There are two shorter (2.31 Å) and four longer (2.32 Å) Yb–O bond lengths. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form YbO6 octahedra that share corners with six PH2O2 tetrahedra. There are four shorter (2.30 Å) and two longer (2.33 Å) Yb–O bond lengths. There are three inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded to two H+0.33+ and two equivalent O2- atoms to form distorted PH2O2 tetrahedra that share corners with two equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 32°. Both P–H bond lengths are 1.43 Å. Both P–O bond lengths are 1.52 Å. In the second P+2.33+ site, P+2.33+ is bonded to two H+0.33+ and two equivalent O2- atoms to form distorted PH2O2 tetrahedra that share corners with two equivalent YbO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There is one shorter (1.42 Å) and one longer (1.43 Å) P–H bond length. Both P–O bond lengths are 1.52 Å. In the third P+2.33+ site, P+2.33+ is bonded to two equivalent H+0.33+ and two O2- atoms to form distorted PH2O2 tetrahedra that share corners with two YbO6 octahedra. The corner-sharing octahedra tilt angles range from 22–33°. Both P–H bond lengths are 1.43 Å. There is one shorter (1.51 Å) and one longer (1.52 Å) P–O bond length. There are five inequivalent H+0.33+ sites. In the first H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. In the second H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. In the third H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. In the fourth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. In the fifth H+0.33+ site, H+0.33+ is bonded in a single-bond geometry to one P+2.33+ atom. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one P+2.33+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one P+2.33+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Yb3+ and one P+2.33+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one P+2.33+ atom.