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Zn3P2 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. All Zn–P bond lengths are 2.48 Å. P3- is bonded in a 6-coordinate geometry to six equivalent Zn2+ atoms.
NdOZnP crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to three equivalent P3- and four equivalent O2- atoms. All Nd–P bond lengths are 3.10 Å. There are one shorter (2.38 Å) and three longer (2.39 Å) Nd–O bond lengths. Zn2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing ZnP4 tetrahedra. There are three shorter (2.42 Å) and one longer (2.56 Å) Zn–P bond lengths. P3- is bonded in a 7-coordinate geometry to three equivalent Nd3+ and four equivalent Zn2+ atoms. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.
RbZn4P3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Rb–P bond lengths are 3.64 Å. Zn2+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. There are two shorter (2.42 Å) and two longer (2.59 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms. In the second P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Zn2+ atoms.
CsZn4P3 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Cs–P bond lengths are 3.76 Å. Zn2+ is bonded to four P3- atoms to form a mixture of corner and edge-sharing ZnP4 tetrahedra. There are two shorter (2.43 Å) and two longer (2.59 Å) Zn–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Zn2+ atoms. In the second P3- site, P3- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms.
Zn3P2 is Hausmannite-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Zn2+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.37–2.68 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a distorted octahedral geometry to six equivalent Zn2+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to six equivalent Zn2+ atoms.