. 2017 Apr 10;11(4):3819–3831. doi: 10.1021/acsnano.7b00017

Table 1. Isotropic Atomic Displacement Parameters (ADPs, Å²) for the Different Models of CsPbX₃ As Derived by Rietveld Analysis of Synchrotron X-ray Diffraction Data.

	CsPbCl₃		CsPbBr₃				CsPbI₃
	RT		RT		HT (410 K)		RT^b
	C^a	S	T	O	C^a	S	O
Pb	2.34(2)	2.44(1)	3.19(3)	2.99(3)	3.03(3)	3.60(3)	3.12(4)
Cs	7.43(4)	7.50(3)	9.34(6)	8.90(6)	10.00(7)	10.11(5)	8.54(13)
X_ax	10.13(9)	1.89(8)	7.54(23)	1.721(12)	10.07(6)	2.06(5)	5.21(13)
X_eq	= X_ax	= X_ax	3.76(7)	2.85(9)	= X_ax	= X_ax	3.75(6)

C (cubic), S (split), T (tetragonal), and O (orthorhombic). Anomalous values, mitigated by atom splitting (C to S) or symmetry lowering (T to O), are highlighted in bold characters.

Colloidal sample.

Table 1. Isotropic Atomic Displacement Parameters (ADPs, Å2) for the Different Models of CsPbX3 As Derived by Rietveld Analysis of Synchrotron X-ray Diffraction Data.

Table 1. Isotropic Atomic Displacement Parameters (ADPs, Å²) for the Different Models of CsPbX₃ As Derived by Rietveld Analysis of Synchrotron X-ray Diffraction Data.