Crystallography Open Database

Information card for entry 1561758

Preview

Coordinates	1561758.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diiron heptaboride
Chemical name	diiron heptaboride
Formula	B7 Fe2
Calculated formula	B7 Fe2
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	16.6754 ± 0.001 Å
b	10.5521 ± 0.0002 Å
c	2.8464 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	500.85 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Ambient diffracton pressure	12500000 kPa
Number of distinct elements	2
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0415
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for significantly intense reflections	1.92
Goodness-of-fit parameter for all reflections included in the refinement	1.92
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
264153 (current)	2021-04-14	cif/ Adding structures of 1561758 via cif-deposit CGI script.	1561758.cif