Crystallography Open Database

Information card for entry 7206878

7206877 << 7206878 >> 7206879

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Coordinates	7206878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B H3 O10 P2 Ti
Calculated formula	B H3 O10 P2 Ti
Title of publication	Ti[BP2O7(OH)3]: The first titanium borophosphate containing novel anionic partial structure
Authors of publication	Shi, Hengzhen; Feng, Yuquan; Huang, Qunzeng; Qiu, Dongfang; Li, Min; Liu, Kecheng
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	24
Pages of publication	7185
a	6.316 ± 0.002 Å
b	6.316 ± 0.002 Å
c	16.446 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	656.1 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d :2
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.0694
Weighted residual factors for significantly intense reflections	0.1906
Weighted residual factors for all reflections included in the refinement	0.1955
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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