Crystallography Open Database

Information card for entry 3000229

Preview

No preview available: structure is on hold until 2020-03-19

Coordinates	Coordinates are not available: structure is on hold until 2020-03-19
Structure factors	Structure factors are not available: structure is on hold until 2020-03-19

Structure parameters

Formula	Al5 H O8
Authors of publication	Parise, John B.; Xia, Bingying; Simonson, Jack W.; Woerner, William R.; Plonka, Anna M.; Phillips, Brian L.; Ehm, Lars
Journal of publication	To be published in Crystals
a	5.6244 ± 0.0003 Å
b	5.6244 ± 0.0003 Å
c	8.8417 ± 0.0003 Å
α	90 ± 0.004°
β	90 ± 0.004°
γ	120 ± 0.006°
Cell volume	242.22 ± 0.02 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0621
Goodness-of-fit parameter for significantly intense reflections	2.39
Goodness-of-fit parameter for all reflections included in the refinement	2.33
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.