Crystallography Open Database

Information card for entry 7704081

Preview

Coordinates	7704081.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B11 Ba3 H5 O23 Pb
Calculated formula	B11 Ba3 O23 Pb
Title of publication	High-temperature, high-pressure hydrothermal synthesis, crystal structure, and infrared and NMR spectroscopy of a barium lead borate with a 2D layer structure: [Ba<sub>3</sub>Pb(H<sub>2</sub>O)][B<sub>11</sub>O<sub>19</sub>(OH)<sub>3</sub>].
Authors of publication	Kuo, Yu-Chen; Liu, Hsin-Kuan; Wang, Sue-Lein; Lii, Kwang-Hwa
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	19
Pages of publication	6220 - 6226
a	6.658 ± 0.0002 Å
b	30.3359 ± 0.0008 Å
c	8.7411 ± 0.0002 Å
α	90°
β	90.952 ± 0.001°
γ	90°
Cell volume	1765.25 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
252773 (current)	2020-06-05	cif/ Updating files of 7704081 Original log message: Adding full bibliography for 7704081.cif.	7704081.cif
250758	2020-04-15	cif/ Adding structures of 7704081 via cif-deposit CGI script.	7704081.cif