Crystallography Open Database

Information card for entry 7721082

Preview

Coordinates	7721082.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cd4P2][I3]
Formula	Cd4 I3 P2
Calculated formula	Cd4 I3 P2
Title of publication	[Cd<sub>4</sub>P<sub>2</sub>][I<sub>3</sub>] and [Cd<sub>2</sub>P][CdCl<sub>3</sub>]: two Millon's phase phosphides exhibiting wide band gaps and large birefringence.
Authors of publication	Wang, Fupeng; Peng, Guang; Ye, Ning; Chen, Jindong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	19
Pages of publication	7480 - 7486
a	12.7104 ± 0.0004 Å
b	12.6393 ± 0.0003 Å
c	12.867 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2067.09 ± 0.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
306211 (current)	2026-06-04	cif/ Adding structures of 7721081, 7721082 via cif-deposit CGI script.	7721082.cif