Crystallography Open Database

Information card for entry 7700020

Preview

Coordinates	7700020.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Rubidium nickel-iron borophosphate
Chemical name	Dirubidium Diaquatrinickel-iron 24-oxodihydroxotetraborohexaphosphate(V)borophosphate
Formula	B8 Fe H12 Ni5 O56 P12 Rb4
Calculated formula	B8 Fe H12 Ni5 O56 P12 Rb4
Title of publication	Crystal chemistry and physical properties of the A<sub>2</sub>M<sub>3</sub>(H<sub>2</sub>O)<sub>2</sub>[B<sub>4</sub>P<sub>6</sub>O<sub>24</sub>(OH)<sub>2</sub>] (A = Cs, Rb; M = Ni, Cu, (Ni, Fe)) borophosphate family.
Authors of publication	Shvanskaya, Larisa; Yakubovich, Olga; Melchakova, Lyubov; Ivanova, Anna; Vasiliev, Alexander
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	24
Pages of publication	8835 - 8842
a	9.4599 ± 0.0004 Å
b	12.2035 ± 0.0004 Å
c	19.9085 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2298.31 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.0972
Goodness-of-fit parameter for all reflections included in the refinement	1.315
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
223791 (current)	2019-11-07	cif/ Updating files of 7700020, 7700021, 7700022 Original log message: Adding full bibliography for 7700020--7700022.cif.	7700020.cif
215293	2019-05-18	cif/ Adding structures of 7700020 via cif-deposit CGI script.	7700020.cif