Crystallography Open Database

Information card for entry 2105051

Preview

Coordinates	2105051.cif
Structure factors	2105051.hkl
Original IUCr paper	HTML
External links	AMCSD; Wikidata

Structure parameters

Mineral name	Sarrabusite
Formula	Cl4 Cu O12 Pb5 Se4
Calculated formula	Cl4 Cu O12 Pb5 Se4
Title of publication	Structure of the new mineral sarrabusite, Pb~5~CuCl~4~(SeO~3~)~4~, solved by manual electron-diffraction tomography
Authors of publication	Gemmi, Mauro; Campostrini, Italo; Demartin, Francesco; Gorelik, Tatiana E.; Gramaccioli, Carlo Maria
Journal of publication	Acta Crystallographica Section B
Year of publication	2012
Journal volume	68
Journal issue	1
Pages of publication	15 - 23
a	24.917 ± 0.003 Å
b	5.506 ± 0.001 Å
c	14.242 ± 0.002 Å
α	90°
β	101.77 ± 0.01°
γ	90°
Cell volume	1912.8 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.3071
Residual factor for significantly intense reflections	0.3069
Weighted residual factors for significantly intense reflections	0.4145
Weighted residual factors for all reflections included in the refinement	0.4145
Goodness-of-fit parameter for all reflections included in the refinement	26.69
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
288039 (current)	2023-12-05	cif/2/10/50/ Redesignated an issue description as a changelog entry.	2105051.cif 2105051.hkl
287702	2023-11-21	cif/ (saulius@tasmanijos-velnias) Marking structure 2105051 as optimal, and 9017922 as suboptimal.	2105051.cif 2105051.hkl
287700	2023-11-21	cif/2/10/50/ (saulius@tasmanijos-velnias) Removing spurious question mark, most probably a left-over from the CIF template.	2105051.cif 2105051.hkl
287670	2023-11-17	cif/ (saulius@tasmanijos-velnias) Manually merging 26 COD entries with the AMCSD upstream.	2105051.cif 2105051.hkl
282068	2023-03-26	cod/ (saulius@tasmanijos-velnias) Adding the '_cod_related_entry_...' loop to those COD AMCSD entries that lacked it, and adding the related AMCSD database ID to this loop.	2105051.cif 2105051.hkl
282053	2023-03-24	cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs.	2105051.cif 2105051.hkl
207075	2018-03-23	cif/2/10/50/ Splitting the _atom_type_symbol data value into several looped values in entry 2105051.	2105051.cif 2105051.hkl
180909	2016-04-02	hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/50.	2105051.cif 2105051.hkl
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2105051.cif 2105051.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2105051.cif 2105051.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2105051.cif 2105051.hkl
66590	2012-09-11	hkl/ Adding assigned .htl files for the most recent IUCr data depositions.	2105051.cif 2105051.hkl
38214	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 2105051 via cif-deposit CGI script.	2105051.cif