Abstract
CsCrI 3 has been investigated by neutron powder diffraction at room temperature and 77 and 1.2 K. It undergoes a phase transition at 150 K due to the cooperative Jahn-Teller effect. The high-temperature form, α-CsCrI 3 (hexagonal, space group P6 3 mmc , a = 8.127(1) Å, c = 6.944(1)Å, Z = 2), adopts the BaNiO 3 structure with a local Jahn-Teller distortion. The low-temperature form, β-CsCrI 3 (orthorhombic, space group Pbcn, a = 8.102(1)Å, b = 13.792(1)Å, c = 6.900(1)Å, Z = 4), has a structure not yet been reported for a Jahn-Teller distorted BaNiO 3 structure. It is shown that the low-temperature form can be derived from the BaNiO 3 structure by means of a canting of triangles, formed by the three common I − ions of two adjacent CrI 6 4− octahedra. The magnetic structure of β-CsCrI 3 at 1.2 K is found to consist of an antiparallel sequence of ferromagnetic (0 0 1) planes with a magnetic moment in the ∥1 0 0∥ direction of 3.16 μ B.
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