Materials Data on AlZn2Sb(HO)12 by Materials Project
Zn2Al(OH)6Sb(HO)6 crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Sb(HO)6 cluster and one Zn2Al(OH)6 sheet oriented in the (0, 0, 1) direction. In the Sb(HO)6 cluster, Sb5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Sb–O bond lengths are 2.01 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom. In the Zn2Al(OH)6 sheet, Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share edges with three equivalent ZnO6 octahedra and edges with three equivalent AlO6 octahedra. There are three shorter (2.13 Å) and three longer (2.17 Å) Zn–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share edges with six equivalent ZnO6 octahedra. All Al–O bond lengths are 1.93 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Zn2+, one Al3+, and one H1+ atom.