Materials Data on K2MgMo2(H2O5)2 by Materials Project

K2Mg(MoO4)2(H2O)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two water molecules and one K2Mg(MoO4)2 ribbon oriented in the (1, 0, 0) direction. In the K2Mg(MoO4)2 ribbon, K1+ is bonded in a distorted bent 150 degrees geometry to two O2- atoms. There is one shorter (1.91 Å) and one longer (1.98 Å) K–O bond length. Mg2+ is bonded in a distorted linear geometry to four O2- atoms. There is two shorter (1.60 Å) and two longer (2.09 Å) Mg–O bond length. Mo6+ is bonded in a distorted L-shaped geometry to three O2- atoms. There are a spread of Mo–O bond distances ranging from 1.38–2.43 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Mg2+, and one Mo6+ atom.