Crystallography Open Database

Information card for entry 2300664

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Structure parameters

Formula	Fe4 Mn Si3
Calculated formula	Fe4 Mn Si3
Title of publication	Combined X-ray and neutron single-crystal diffraction in diamond anvil cells
Authors of publication	Grzechnik, Andrzej; Meven, Martin; Paulmann, Carsten; Friese, Karen
Journal of publication	Journal of Applied Crystallography
Year of publication	2020
Journal volume	53
Journal issue	1
Pages of publication	9 - 14
a	6.7705 ± 0.0006 Å
b	6.7705 ± 0.0006 Å
c	4.7044 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	186.76 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	193
Hermann-Mauguin space group symbol	P 63/m c m
Hall space group symbol	-P 6c 2
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0619
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for significantly intense reflections	0
Goodness-of-fit parameter for all reflections included in the refinement	6.02
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.494 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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