Crystallography Open Database

Information card for entry 7248379

Preview

Coordinates	7248379.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br7 Cs Nb3 S
Calculated formula	Br7 Cs Nb3 S
Title of publication	Electronic structure and transport in the potential Luttinger liquids CsNb<sub>3</sub>Br<sub>7</sub>S and RbNb<sub>3</sub>Br<sub>7</sub>S.
Authors of publication	Grahlow, Fabian; Strauß, Fabian; Scheele, Marcus; Ströbele, Markus; Carta, Alberto; Weber, Sophie F.; Kroeker, Scott; Romao, Carl P.; Meyer, H-Jürgen
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2024
Journal volume	26
Journal issue	15
Pages of publication	11789 - 11797
a	9.8515 ± 0.0002 Å
b	18.7974 ± 0.0004 Å
c	7.0544 ± 0.0001 Å
α	90°
β	98.203 ± 0.002°
γ	90°
Cell volume	1292.99 ± 0.04 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 ± 0.11 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0276
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291701 (current)	2024-05-05	cif/ Updating files of 7248379, 7248380 Original log message: Adding full bibliography for 7248379--7248380.cif.	7248379.cif
290776	2024-04-04	cif/ Adding structures of 7248379, 7248380 via cif-deposit CGI script.	7248379.cif