Materials Data on Nd4(GeS4)3 by Materials Project
Nd4(GeS4)3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Nd–S bond distances ranging from 2.86–3.07 Å. In the second Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to nine S2- atoms. There are six shorter (2.89 Å) and three longer (3.40 Å) Nd–S bond lengths. Ge4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Ge–S bond distances ranging from 2.22–2.27 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three Nd3+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a distorted trigonal planar geometry to two equivalent Nd3+ and one Ge4+ atom. In the third S2- site, S2- is bonded to three Nd3+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SNd3Ge tetrahedra. In the fourth S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Nd3+ and one Ge4+ atom.