Crystallography Open Database

Information card for entry 2219455

2219454 << 2219455 >> 2219456

Preview

Coordinates	2219455.cif
Structure factors	2219455.hkl
Original IUCr paper	HTML

Structure parameters

Common name	Olivenite
Formula	As0.92 Cu2 H O5 P0.08
Calculated formula	As0.916 Cu2 H O5 P0.084
Title of publication	Redetermination of olivenite from an untwinned single-crystal
Authors of publication	Li, Chen; Yang, Hexiong; Downs, Robert T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	9
Pages of publication	i60 - i61
a	8.5844 ± 0.0003 Å
b	8.2084 ± 0.0003 Å
c	5.9258 ± 0.0002 Å
α	90.13 ± 0.002°
β	90°
γ	90°
Cell volume	417.56 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 21/n 1 1
Hall space group symbol	-P 2xn
Residual factor for all reflections	0.0267
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0434
Weighted residual factors for all reflections included in the refinement	0.0455
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181114 (current)	2016-04-03	hkl/2/21/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/21/94.	2219455.cif 2219455.hkl
176787	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/21.	2219455.cif 2219455.hkl
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	2219455.cif 2219455.hkl
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2219455.cif 2219455.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.	2219455.cif 2219455.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2219455.cif 2219455.hkl
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2219455.cif 2219455.hkl
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	2219455.cif 2219455.hkl
691	2009-05-03	Depositing the first portion of the Fobs data CIFs. These are CIFs from the Acta Cryst. journals, where the correspondence of the coordinate CIF and the Fobs CIF could be unambiguously determined automatically. In these files, cell constatnts match exctely, being equal with the floating point '==' operator in Perl. For the future depositions, such requirement is too strict, since sometimes cell constants in the coordinate and the Fobs files differ by a rounding error. Thus, a small tollerance will have to be introduced into the COD Fobs deposition scripts.	2219455.cif 2219455.hkl
605	2009-03-27	Adding CIFs from the Acta-Cryst-E-2008_09-12/ deposition.	2219455.cif