Crystallography Open Database

Information card for entry 8103015

Preview

Coordinates	8103015.cif

Structure parameters

Chemical name	Tetraarsenido hexamercury hexabromoindate bromide
Formula	As4 Br7 Hg6 In
Calculated formula	As3.924 Br6.978 Hg5.964 In
Title of publication	Crystal structure of tetraarsenidohexamercury hexabromoindate bromide, [Hg6As4][InBr6]Br and tetraantimonidohexamercury hexabromoindate bromide, [Hg6Sb4][InBr6]Br
Authors of publication	Hans-Jörg Deiseroth; Jens Schlirf; Christof Reiner
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	2
Pages of publication	167
a	12.3511 ± 0.0005 Å
b	12.3511 ± 0.0005 Å
c	12.3511 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1884.16 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103015.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103015.cif
13754	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103015 via cif-deposit CGI script.	8103015.cif