Materials Data on LaSCl by Materials Project
LaSCl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent Cl1- atoms. There are two shorter (2.86 Å) and two longer (2.93 Å) La–S bond lengths. There are two shorter (2.97 Å) and two longer (3.23 Å) La–Cl bond lengths. In the second La3+ site, La3+ is bonded to four equivalent S2- and two equivalent Cl1- atoms to form distorted edge-sharing LaS4Cl2 pentagonal pyramids. There are two shorter (2.81 Å) and two longer (2.82 Å) La–S bond lengths. Both La–Cl bond lengths are 2.98 Å. In the third La3+ site, La3+ is bonded in a 7-coordinate geometry to four S2- and three Cl1- atoms. There are a spread of La–S bond distances ranging from 2.81–2.92 Å. There are a spread of La–Cl bond distances ranging from 2.81–3.11 Å. In the fourth La3+ site, La3+ is bonded in a 7-coordinate geometry to four S2- and three Cl1- atoms. There are a spread of La–S bond distances ranging from 2.81–2.91 Å. There are a spread of La–Cl bond distances ranging from 2.90–3.20 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 tetrahedra. In the second S2- site, S2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 tetrahedra. In the third S2- site, S2- is bonded to four La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 tetrahedra. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three La3+ atoms. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three La3+ atoms.