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Materials Data on H4INO4 by Materials Project

NH4IO4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal I4_1/a space group. The structure is zero-dimensional and consists of four ammonium molecules and four IO4 clusters. In each IO4 cluster, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. I1- is bonded in a tetrahedral geometry to four equivalent O2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on H2INO2 by Materials Project

NH2O2I crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of eight ammonia molecules and four O2I ribbons oriented in the (0, 1, 0) direction. In each O2I ribbon, O2- is bonded in a bent 120 degrees geometry to one O2- and one I1- atom. The O–O bond length is 1.39 Å. The O–I bond length is 2.19 Å. I1- is bonded in a linear geometry to two equivalent O2- atoms.

36 MATERIALS SCIENCE↗

Materials Data on H11I(NO3)2 by Materials Project

(NH4)2H3O6I crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of two ammonium molecules and one H3O6I framework. In the H3O6I framework, there are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.67 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.67 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.66 Å) H–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one I1- atom. The O–I bond length is 2.00 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one I1- atom. The O–I bond length is 1.99 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one I1- atom. The O–I bond length is 1.86 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one I1- atom. The O–I bond length is 1.85 Å. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one H1+ and one I1- atom. The O–I bond length is 1.86 Å. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one I1- atom. The O–I bond length is 1.99 Å. I1- is bonded in an octahedral geometry to six O2- atoms.

36 MATERIALS SCIENCE↗