Materials Data on LaSBr by Materials Project
LaSBr crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to four equivalent S2- and three equivalent Br1- atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) La–S bond lengths. There are a spread of La–Br bond distances ranging from 3.10–3.37 Å. S2- is bonded to four equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing SLa4 tetrahedra. Br1- is bonded in a 3-coordinate geometry to three equivalent La3+ atoms.
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