Crystallography Open Database

Information card for entry 7063999

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Coordinates	7063999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2 Cs2 O16 P4 Ti
Calculated formula	Al2 Cs2 O16 P4 Ti
Title of publication	M2Al2Ti(PO4)4 (M = Rb, Cs): synthesis and optical property investigation of two titanium phosphates with a dissimilar structural configuration
Authors of publication	Baiheti, Tuohetijiang; Ababaike, Mairihaba; Wumaier, Salamaiti; Wang, Shutong
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	40
Pages of publication	17694 - 17700
a	8.2316 ± 0.0005 Å
b	10.0169 ± 0.0006 Å
c	10.2069 ± 0.0007 Å
α	75.671 ± 0.003°
β	88.906 ± 0.003°
γ	87.669 ± 0.003°
Cell volume	814.72 ± 0.09 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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