Crystallography Open Database

Information card for entry 1560546

Preview

Coordinates	1560546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al Ca3 Na3 P4
Calculated formula	Al Ca3 Na3 P4
SMILES	[Al]([P-2])([P-2])([P-2])[P-2].[Ca+2].[Ca+2].[Na+].[Ca+2].[Na+].[Na+]
Title of publication	Synthesis and structural characterization of the Zintl phases Na3Ca3TrPn4, Na3Sr3TrPn4, and Na3Eu3TrPn4 (Tr=Al, Ga, In; Pn=P, As, Sb)
Authors of publication	Wang, Yi; Suen, Nian-Tzu; Kunene, Thabiso; Stoyko, Stanislav; Bobev, Svilen
Journal of publication	Journal of Solid State Chemistry
Year of publication	2017
Journal volume	249
Pages of publication	160 - 168
a	9.1655 ± 0.0009 Å
b	9.1655 ± 0.0009 Å
c	7.0266 ± 0.0013 Å
α	90°
β	90°
γ	120°
Cell volume	511.2 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0882
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
262149 (current)	2021-02-23	cif/ Adding structures of 1560546, 1560547, 1560548, 1560549, 1560550, 1560551, 1560552, 1560553, 1560554, 1560555, 1560556, 1560557, 1560558, 1560559, 1560560 via cif-deposit CGI script.	1560546.cif