Er(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. Er(1) is bonded to six equivalent P(1) atoms to form ErP6 octahedra that share corners with six equivalent Zn(2)P4 tetrahedra, edges with six equivalent Er(1)P6 octahedra, and edges with six equivalent Zn(2)P4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to three equivalent P(2) atoms. In the second Zn site, Zn(2) is bonded to one P(2) and three equivalent P(1) atoms to form ZnP4 tetrahedra that share corners with three equivalent Er(1)P6 octahedra, corners with seven equivalent Zn(2)P4 tetrahedra, and edges with three equivalent Er(1)P6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Er(1) and three equivalent Zn(2) atoms to form PEr3Zn3 octahedra that share corners with three equivalent P(1)Er3Zn3 octahedra, corners with three equivalent P(2)Zn5 trigonal bipyramids, and edges with nine equivalent P(1)Er3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second P site, P(2) is bonded to two equivalent Zn(2) and three equivalent Zn(1) atoms to form PZn5 trigonal bipyramids that share corners with six equivalent P(1)Er3Zn3 octahedra and corners with six equivalent P(2)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 69°.
Er(ZnP)3 crystallizes in the hexagonal P6_3/mmc space group. Er(1) is bonded to six equivalent P(1) atoms to form ErP6 octahedra that share corners with six equivalent Zn(2)P4 tetrahedra, edges with six equivalent Er(1)P6 octahedra, and edges with six equivalent Zn(2)P4 tetrahedra. All Er(1)-P(1) bond lengths are 2.81 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to three equivalent P(2) atoms. All Zn(1)-P(2) bond lengths are 2.28 Å. In the second Zn site, Zn(2) is bonded to one P(2) and three equivalent P(1) atoms to form ZnP4 tetrahedra that share corners with three equivalent Er(1)P6 octahedra, corners with seven equivalent Zn(2)P4 tetrahedra, and edges with three equivalent Er(1)P6 octahedra. The corner-sharing octahedral tilt angles are 14°. The Zn(2)-P(2) bond length is 2.40 Å. All Zn(2)-P(1) bond lengths are 2.45 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to three equivalent Er(1) and three equivalent Zn(2) atoms to form PEr3Zn3 octahedra that share corners with three equivalent P(1)Er3Zn3 octahedra, corners with three equivalent P(2)Zn5 trigonal bipyramids, and edges with nine equivalent P(1)Er3Zn3 octahedra. The corner-sharing octahedra are not tilted. In the second P site, P(2) is bonded to two equivalent Zn(2) and three equivalent Zn(1) atoms to form PZn5 trigonal bipyramids that share corners with six equivalent P(1)Er3Zn3 octahedra and corners with six equivalent P(2)Zn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 69°.