Materials Data on La(ReSi)2 by Materials Project
La(ReSi)2 crystallizes in the orthorhombic Imma space group. The structure is two-dimensional and consists of two La(ReSi)2 sheets oriented in the (0, 0, 1) direction. La2+ is bonded in a distorted q4 geometry to ten Si4- atoms. There are four shorter (3.22 Å) and six longer (3.23 Å) La–Si bond lengths. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a bent 120 degrees geometry to two equivalent Si4- atoms. Both Re–Si bond lengths are 2.53 Å. In the second Re3+ site, Re3+ is bonded in a water-like geometry to two equivalent Si4- atoms. Both Re–Si bond lengths are 2.53 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent La2+ and three Si4- atoms. There are two shorter (2.41 Å) and one longer (2.49 Å) Si–Si bond lengths. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent La2+, four Re3+, and one Si4- atom.