Crystallography Open Database

Information card for entry 4325072

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Coordinates	4325072.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba6.18 Si46
Calculated formula	Ba6.176 Si46
Title of publication	Synthesis of the Clathrate-I Phase Ba8-xSi46 via Redox Reactions
Authors of publication	Ying Liang; Bodo Böhme; Marianne Reibold; Walter Schnelle; Ulrich Schwarz; Michael Baitinger; Hannes Lichte; Yuri Grin
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4523 - 4528
a	10.2568 ± 0.0005 Å
b	10.2568 ± 0.0005 Å
c	10.2568 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1079.04 ± 0.09 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	2
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor R(I) for significantly intense reflections	0.06
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54056 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179353 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/50.	4325072.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325072.cif
43524	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325072 via cif-deposit CGI script.	4325072.cif