Crystallography Open Database

Information card for entry 7117213

Preview

Coordinates	7117213.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	JU103
Formula	Al4 H3 Na3 O19 P4
Calculated formula	Al4 H3 Na3 O19 P4
Title of publication	High proton conduction in a new alkali metal-templated open-framework aluminophosphate
Authors of publication	Yanjun Sun; Yan Yan; Yanyan Wang; Yi Li; Jiyang Li; Jihong Yu
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	9317
a	7.537 ± 0.0018 Å
b	12.525 ± 0.003 Å
c	9.7 ± 0.002 Å
α	90°
β	98.51 ± 0.004°
γ	90°
Cell volume	905.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.1169
Weighted residual factors for significantly intense reflections	0.3265
Weighted residual factors for all reflections included in the refinement	0.3291
Goodness-of-fit parameter for all reflections included in the refinement	1.119
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7117213.cif
176428	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary.	7117213.cif
137327	2015-05-25	cif/ Adding structures of 7117213 via cif-deposit CGI script.	7117213.cif