Crystallography Open Database

Information card for entry 1562774

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Coordinates	1562774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al3 Ca2 Si4
Calculated formula	Al3 Ca2 Si4
Title of publication	High pressure synthesis and crystal structure of a ternary superconductor Ca2Al3Si4 containing layer structured calcium sub-network isomorphous with black phosphorus
Authors of publication	Tanaka, Masashi; Zhang, Shuai; Tanaka, Yuki; Inumaru, Kei; Yamanaka, Shoji
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	198
Pages of publication	445 - 451
a	5.8846 ± 0.0008 Å
b	14.973 ± 0.001 Å
c	7.7966 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	686.96 ± 0.11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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