Crystallography Open Database

Information card for entry 8101636

Preview

Coordinates	8101636.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca4 Fe0.82 Li1.18 N2
Calculated formula	Ca2 Fe0.8207 Li1.18 N2
Title of publication	Crystal structure of dicalcium (dinitridolithiate/ferrate(I)), Ca~2~{Li[(Li~1-x~Fe~x~)N~2~]}, x = 0.82
Authors of publication	Klatyk, Jens; Kniep, Rüdiger
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	1999
Journal volume	214
Journal issue	4
Pages of publication	451 - 452
a	5.3559 ± 0.0008 Å
b	5.3559 ± 0.0008 Å
c	6.6778 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	191.56 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	136
Hermann-Mauguin space group symbol	P 42/m n m
Hall space group symbol	-P 4n 2n
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0673
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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