Crystallography Open Database

Information card for entry 4324794

Preview

Coordinates	4324794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B7 Ba3 Ge2 H5 O20
Calculated formula	B7 Ba3 Ge2 H3 O20
Title of publication	Ba3[Ge2B7O16(OH)2](OH)(H2O) and Ba3Ge2B6O16: Novel Alkaline-Earth Borogermanates Based on Two Types of Polymeric Borate Units and GeO4 Tetrahedra
Authors of publication	Jian-Han Zhang; Fang Kong; Jiang-Gao Mao
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	3037 - 3043
a	14.805 ± 0.007 Å
b	8.516 ± 0.004 Å
c	13.514 ± 0.01 Å
α	90°
β	113.942 ± 0.005°
γ	90°
Cell volume	1557.2 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0297
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0675
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324794.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324794.cif
43245	2012-03-14	../uploads/cif-deposit/cod/cif Adding structures of 4324794 via cif-deposit CGI script.	4324794.cif