Crystallography Open Database

Information card for entry 2300089

Preview

Coordinates	2300089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C Fe3
Calculated formula	C Fe3
SMILES	[Fe].[Fe].[Fe].[C]
Title of publication	Thermal expansion and crystal structure of cementite, Fe~3~C, between 4 and 600K determined by time-of-flight neutron powder diffraction
Authors of publication	Wood, I. G.; Vočadlo, Lidunka; Knight, K. S.; Dobson, David P.; Marshall, W. G.; Price, G. David; Brodholt, John
Journal of publication	Journal of Applied Crystallography
Year of publication	2004
Journal volume	37
Journal issue	1
Pages of publication	82 - 90
a	5.08644 ± 0.00016 Å
b	6.7772 ± 0.0002 Å
c	4.52559 ± 0.00013 Å
α	90°
β	90°
γ	90°
Cell volume	156.005 ± 0.008 Å³
Cell temperature	560 K
Ambient diffraction temperature	560 K
Number of distinct elements	2
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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