Crystallography Open Database

Information card for entry 4325074

Preview

Coordinates	4325074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba6.31 Si46
Calculated formula	Ba6.306 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	10.2701 ± 0.0006 Å
b	10.2701 ± 0.0006 Å
c	10.2701 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1083.24 ± 0.11 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	0.0524
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.	4325074.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325074.cif
43526	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325074 via cif-deposit CGI script.	4325074.cif