Crystallography Open Database

Information card for entry 2310044

Preview

Coordinates	2310044.cif
Original IUCr paper	HTML

Structure parameters

Formula	Ga0.889 O4.222 Zn2.889
Calculated formula	Ga1.93776 O8 Zn6.2972
Title of publication	Structure of (Ga~2~O~3~)~2~(ZnO)~13~ and a unified description of the homologous series (Ga~2~O~3~)~2~(ZnO)~2~~<i>n~+1</i>
Authors of publication	Michiue, Yuichi; Kimizuka, Noboru; Kanke, Yasushi; Mori, Takao
Journal of publication	Acta Crystallographica Section B
Year of publication	2012
Journal volume	68
Journal issue	3
Pages of publication	250 - 260
a	19.66 ± 0.04 Å
b	3.2487 ± 0.0005 Å
c	1.6065 ± 0.0012 Å
α	90°
β	105.9 ± 0.1°
γ	90°
Cell volume	98.7 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	C2/m(\a0\g)00
Residual factor for all reflections	0.113
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for all reflections	0.2022
Weighted residual factors for significantly intense reflections	0.1421
Goodness-of-fit parameter for all reflections	2.98
Goodness-of-fit parameter for significantly intense reflections	2.72
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Duplicate of	2310031
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176809 (current)	2016-02-21	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2.	2310044.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2310044.cif
112050	2014-04-29	cod/ (saulius@koala.ibt.lt) Marking 392 files as duplicates of the COD entries (with smaller COD IDs) that had identical title, cell constants and coordinates: mysql -u cod_reader cod -e ' select d1.file, d2.file from data as d1 join data as d2 on ( d1.title = d2.title or d1.title = substr(d2.title,1,length(d2.title)-1) or d2.title = substr(d1.title,1,length(d1.title)-1)) and d1.file < d2.file and d1.a = d2.a and d1.b = d2.b and d1.c = d2.c and d1.vol = d2.vol and (d1.calcformula = d2.calcformula or d1.calcformula is null or d2.calcformula is null) and d1.duplicateof is null and d2.duplicateof is null and d1.optimal is null and d2.optimal is null order by d1.file, d2.file' -NB \ \| xargs -i bash -c ' F1=$(echo {} \| awk "{print \$1}" \| codid2file); F2=$(echo {} \| awk "{print \$2}"\| codid2file); true echo === {} ===; if diff -q <(cif2ref $F1) <(cif2ref $F2) >& /dev/null; then CODID=$(echo {} \| awk "{print \$1}"); echo $CODID is the main entry for $F2; echo "_cod_duplicate_entry $CODID" >> $F2; fi' The localhost `cod` database's table `data` was loaded with the last night's COD `data` dump.	2310044.cif
82146	2013-04-26	cif/2/31/ (saulius@koala.ibt.lt) Commiting modulated structures published in IUCr journals in 2011-2012.	2310044.cif