Crystallography Open Database

Information card for entry 7135131

Preview

Coordinates	7135131.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	K4NaScP2O8F2
Formula	F K1.999 Na0.501 O4 P Sc0.5
Calculated formula	F K1.999 Na0.501 O4 P Sc0.5
Title of publication	Tailoring UV waveplate materials <i>via</i> rational assembly of functional motifs in scandium fluoride phosphate.
Authors of publication	Zhao, Huijian; Li, Conggang; Ye, Ning; Hu, Zhanggui
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	88
Pages of publication	17145 - 17148
a	11.2963 ± 0.0005 Å
b	11.2963 ± 0.0005 Å
c	7.1996 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	795.63 ± 0.07 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	1.0455
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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