Crystallography Open Database

Information card for entry 2018405

2018404 << 2018405 >> 2018406

Preview

Coordinates	2018405.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	pentalead octaindium dibismuth icosasulfide
Formula	Bi1.62 In8.38 Pb5 S20
Calculated formula	Bi1.622 In8.378 Pb5 S20
Title of publication	Pb~5.0(1)~In~8.4(1)~Bi~1.6(1)~S~20~, a new quaternary lead indium bismuth sulfide
Authors of publication	Reis, I.; Krämer, V.; Seiler, A.; Topa, D.; Keller, E.
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	3
Pages of publication	i12 - i16
a	27.065 ± 0.004 Å
b	3.8825 ± 0.0003 Å
c	15.683 ± 0.002 Å
α	90°
β	103.59 ± 0.01°
γ	90°
Cell volume	1601.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0407
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2018405.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018405.cif
50969	2012-04-03	../uploads/cif-deposit/cod/cif Adding structures of 2018405 via cif-deposit CGI script.	2018405.cif