Crystallography Open Database

Information card for entry 4517856

Preview

Coordinates	4517856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.77 H3.53 N0.22 Na0.45 O8.34 Si4
Calculated formula	C1.768 H3.536 N0.221 Na0.446 O8.344 Si4
Title of publication	PST-33: A Four-Layer ABC-6 Zeolite with the Stacking Sequence AABC
Authors of publication	Lee, Hwajun; Choi, Wanuk; Choi, Hyun June; Hong, Suk Bong
Journal of publication	ACS Materials Letters
Year of publication	2020
Journal volume	2
Journal issue	8
Pages of publication	981 - 985
a	12.9952 ± 0.0018 Å
b	12.9952 ± 0.0018 Å
c	10.177 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	1488.4 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.1202
Residual factor for significantly intense reflections	0.1026
Weighted residual factors for significantly intense reflections	0.2975
Weighted residual factors for all reflections included in the refinement	0.3185
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.7 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257087 (current)	2020-10-04	cif/ Updating files of 4517856 Original log message: Adding full bibliography for 4517856.cif.	4517856.cif
254768	2020-08-04	cif/ Updating files of 4517856 Original log message: Adding full bibliography for 4517856.cif.	4517856.cif
254347	2020-07-17	cif/ Adding structures of 4517856 via cif-deposit CGI script.	4517856.cif