Crystallography Open Database

Information card for entry 4513326

Preview

Coordinates	4513326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 H8.52 K2.67 Na1.33 O31.26 P6 V2
Calculated formula	B4 K2.66667 Na1.3334 O31.26 P6 V2
Title of publication	Hydrothermal Synthesis of Open-Framework Borophosphates with Tunable Micropore Sizes, Crystal Morphologies, and Thermal Stabilities
Authors of publication	Sun, Wei; Huang, Ya-Xi; Nokhrin, Sergiy; Pan, Yuanming; Mi, Jin-Xiao
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	8
Pages of publication	3594
a	19.985 ± 0.002 Å
b	19.985 ± 0.002 Å
c	19.985 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7982 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	197
Hermann-Mauguin space group symbol	I 2 3
Hall space group symbol	I 2 2 3
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0275
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
154562 (current)	2015-09-05	cif/ Updating files of 4513326 Original log message: Adding full bibliography for 4513326.cif.	4513326.cif
139689	2015-06-27	cif/ Adding structures of 4513326 via cif-deposit CGI script.	4513326.cif