Crystallography Open Database

Information card for entry 7041604

Preview

Coordinates	7041604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B F K O4 P
Calculated formula	B F K O4 P
Title of publication	KB(PO4)F: a novel acentric deep-ultraviolet material.
Authors of publication	Jiang, Ji-Hong; Zhang, Lin-Chuan; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	5
Pages of publication	1677 - 1683
a	4.2917 ± 0.0009 Å
b	7.8624 ± 0.0015 Å
c	12.0505 ± 0.0019 Å
α	90°
β	90.44 ± 0.03°
γ	90°
Cell volume	406.61 ± 0.13 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1815
Weighted residual factors for all reflections included in the refinement	0.1856
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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