Crystallography Open Database

Information card for entry 4514334

Preview

Coordinates	4514334.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tantalum trisufide
Formula	S3 Ta
Calculated formula	S4.5 Ta1.5
Title of publication	TaS3 Nanofibers: Layered Trichalcogenide for High-Performance Electronic and Sensing Devices.
Authors of publication	Mayorga-Martinez, Carmen C; Sofer, Zdeněk; Luxa, Jan; Huber, Štěpán; Sedmidubský, David; Brázda, Petr; Palatinus, Lukáš; Mikulics, Martin; Lazar, Petr; Medlín, Rostislav; Pumera, Martin
Journal of publication	ACS nano
Year of publication	2018
Journal volume	12
Journal issue	1
Pages of publication	464 - 473
a	19.9 Å
b	3.34 Å
c	15.2 Å
α	90°
β	112.4°
γ	90°
Cell volume	934.053 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	2
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1434
Residual factor for significantly intense reflections	0.0853
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for significantly intense reflections	2.87
Goodness-of-fit parameter for all reflections included in the refinement	2.08
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0335 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206136 (current)	2018-02-04	cif/ Updating files of 4514334, 4514335 Original log message: Adding full bibliography for 4514334--4514335.cif.	4514334.cif
204632	2018-01-01	cif/ Adding structures of 4514334 via cif-deposit CGI script.	4514334.cif