Crystallography Open Database

Information card for entry 1561769

Preview

Coordinates	1561769.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Iron Boron (1.01/50)
Chemical name	Iron Boron (1.01/50)
Formula	B50 Fe1.01
Calculated formula	B50 Fe1.0098
Title of publication	Crystal structures and compressibility of novel iron borides Fe2B7 and Fe B50 synthesized at high pressure and high temperature
Authors of publication	Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	230
Pages of publication	102 - 109
a	8.8236 ± 0.0002 Å
b	8.8236 ± 0.0002 Å
c	4.971 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	387.022 ± 0.015 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Ambient diffracton pressure	9700000 kPa
Number of distinct elements	2
Space group number	134
Hermann-Mauguin space group symbol	P 42/n n m :2
Hall space group symbol	-P 4ac 2bc
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for significantly intense reflections	2.6
Goodness-of-fit parameter for all reflections included in the refinement	2.51
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41441 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
264164 (current)	2021-04-14	cif/ Adding structures of 1561769 via cif-deposit CGI script.	1561769.cif