Perovskites with a Twist: Strong In1+ Off-Centering in the Mixed-Valent CsInX3 (X = Cl, Br)
Authors of publication
McCall, Kyle M.; Friedrich, Daniel; Chica, Daniel G.; Cai, Weizhao; Stoumpos, Constantinos C.; Alexander, Grant C. B.; Deemyad, Shanti; Wessels, Bruce W.; Kanatzidis, Mercouri G.
Journal of publication
Chemistry of Materials
Year of publication
2019
a
17.188 ± 0.002 Å
b
17.188 ± 0.002 Å
c
11.041 ± 0.002 Å
α
90°
β
90°
γ
90°
Cell volume
3261.8 ± 0.8 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
293 ± 2 K
Number of distinct elements
3
Space group number
87
Hermann-Mauguin space group symbol
I 4/m
Hall space group symbol
-I 4
Residual factor for all reflections
0.1318
Residual factor for significantly intense reflections
0.0977
Weighted residual factors for significantly intense reflections
0.3031
Weighted residual factors for all reflections included in the refinement
0.3318
Goodness-of-fit parameter for all reflections included in the refinement
