Crystallography Open Database

Information card for entry 2312719

Preview

Coordinates	2312719.cif
Original IUCr paper	HTML

Structure parameters

Formula	Cu0 H O13 P3 Pb5
Calculated formula	H O13 P3 Pb5
Title of publication	Polymorphism of Pb<sub>5</sub>(PO<sub>4</sub>)<sub>3</sub>OH<sub>δ</sub> within the LK-99 mixture.
Authors of publication	Xu, Mingyu; Wang, Haozhe; Vojvodin, Cameron; Yarava, Jayasubba Reddy; Wang, Tuo; Xie, Weiwei
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2024
Journal volume	80
Journal issue	6
Pages of publication	746 - 750
a	13.5137 ± 0.0004 Å
b	10.2904 ± 0.0004 Å
c	9.3838 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1304.92 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
296760 (current)	2024-12-07	cif/ Updating files of 2312719 Original log message: Adding full bibliography for 2312719.cif.	2312719.cif
296198	2024-12-03	cif/ Adding structures of 2312719 via cif-deposit CGI script.	2312719.cif