Materials Data on InH8C4NO10 by Materials Project

Abstract

In(CO2)4NH4(H2O)2 crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional and consists of three ammonium molecules, six water molecules, and one In(CO2)4 framework. In the In(CO2)4 framework, In1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.22 Å) and four longer (2.42 Å) In–O bond lengths. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.26 Å. In the second C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both C–O bond lengths are 1.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one In1+ and one C+3.50+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one In1+ and one C+3.50+ atom.