Materials Data on Rb2Ni(PS3)2 by Materials Project

Rb2Ni(PS3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 11-coordinate geometry to eleven S2- atoms. There are a spread of Rb–S bond distances ranging from 3.43–3.99 Å. Ni2+ is bonded in an octahedral geometry to six S2- atoms. There are a spread of Ni–S bond distances ranging from 2.48–2.52 Å. P4+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.03 Å) and one longer (2.04 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Rb1+, one Ni2+, and one P4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to four equivalent Rb1+, one Ni2+, and one P4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent Rb1+, one Ni2+, and one P4+ atom.