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Table 2 Unit cell, positional, and thermal parameters for (CH ₃ CH ₂ NH ₃ )PbI ₃

From: Synthesis, structure, and photovoltaic property of a nanocrystalline 2H perovskite-type novel sensitizer (CH₃CH₂NH₃)PbI₃

Space group: Pmmn
a = 8.7419(2) Å, b = 8.14745(10) Å, c = 30.3096(6) Å, Z = 8
R_p = 15.3% R_wp = 21.0% R_exp = 9.47% χ² = 4.9
	Site	x	y	z	B (Å ² ) ^a
Pb1	4e	0.75	0.5261(17)	0.1256(12)	0.66(15)
Pb2	4e	0.25	0.493(2)	0.3776(10)	0.66(15)
I1	2a	0.25	0.25	0.466(2)	3.4(2)
I2	2a	0.75	0.75	0.046(2)	3.4(2)
I3	2b	0.75	0.25	0.208(2)	3.4(2)
I4	2b	0.25	0.75	0.288(2)	3.4(2)
I5	4f	0.997(6)	0.25	0.0898(13)	3.4(2)
I6	4f	0.993(6)	0.75	0.1693(13)	3.4(2)
I7	4f	0.526(6)	0.25	0.3429(12)	3.4(2)
I8	4f	0.013(6)	0.75	0.4195(14)	3.4(2)

Structural parameters for C, N, and H atoms were not refined. ^aAll of the isotropic atomic displacement parameters (B) of each atomic species were constrained to have the same values.

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