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
17.0057 ± 0.0003 Å
b
17.0057 ± 0.0003 Å
c
11.0266 ± 0.0003 Å
α
90°
β
90°
γ
90°
Cell volume
3188.82 ± 0.12 Å3
Cell temperature
300 ± 2 K
Ambient diffraction temperature
300 ± 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
0.0316
Residual factor for significantly intense reflections
0.0287
Weighted residual factors for significantly intense reflections
0.075
Weighted residual factors for all reflections included in the refinement
0.0768
Goodness-of-fit parameter for all reflections included in the refinement