# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:47:41+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Applied Crystallography') AND volume = 45 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"2300365","4.989","0.0003","4.989","0.0003","5.6527","0.0003","90","","90","","120","","121.847","0.012","298","2","298","2","","","","","","","","2","P 31 2 1","P 31 2""","152","","","","- Ge O2 -","- Ge O2 -","- Ge3 O6 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0091","0.0088","","","0.0211","0.0211","","","","","","1.153","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300366","4.983","0.0001","4.983","0.0001","5.6339","0.0002","90","","90","","120","","121.149","0.006","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- Ge0.97 O2 Si0.03 -","- Ge0.97 O2 Si0.03 -","- Ge2.91 O6 Si0.09 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0148","0.0147","","","0.038","0.038","","","","","","1.181","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300367","4.9805","0.0002","4.9805","0.0002","5.627","0.0003","90","","90","","120","","120.88","0.009","298","2","298","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ge0.96 O2 Si0.04 -","- Ge0.96 O2 Si0.04 -","- Ge2.88 O6 Si0.12 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0099","0.0099","","","0.0241","0.0241","","","","","","1.199","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300368","4.97517","0.00017","4.97517","0.00017","5.60565","0.00019","90","","90","","120","","120.163","0.007","298","2","298","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- Ge0.9 O2 Si0.1 -","- Ge0.9 O2 Si0.1 -","- Ge2.7 O6 Si0.3 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0143","0.013","","","0.0297","0.0299","","","","","","1.194","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2300369","4.9707","0.0003","4.9707","0.0003","5.5873","0.0003","90","","90","","120","","119.555","0.012","298","2","298","2","","","","","","","","3","P 31 2 1","P 31 2""","152","","","","- Ge0.83 O2 Si0.17 -","- Ge0.83 O2 Si0.17 -","- Ge2.49 O6 Si0.51 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0101","0.01","","","0.0236","0.0236","","","","","","1.22","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300370","4.91636","0.00019","4.91636","0.00018","5.4084","0.0002","90","","90","","120","","113.211","0.007","298","2","298","2","","","","","","","","2","P 32 2 1","P 32 2""","154","","","","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Lignie, Adrien; Granier, Dominique; Armand, Pascale; Haines, Julien; Papet, Philippe","Modulation of quartz-like GeO~2~ structure by Si substitution: an X-ray diffraction study of Ge~1{-~<i>x</i>}Si<i>~x~</i>O~2~ (0 {łeq} <i>x</i> < 0.2) flux-grown single crystals","Journal of Applied Crystallography","2012","45","2","272","278","10.1107/S0021889812003081","","","0.71073","MoKα","","0.0132","0.0131","","","0.0401","0.0402","","","","","","1.253","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300371","5.0784","0.0003","13.9046","0.001","14.6992","0.001","90","","90","","90","","1037.96","0.12","2","0.1","2","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","cytidine","","","- C9 H13 N3 O5 -","- C9 H13 N3 O5 -","- C36 H52 N12 O20 -","4","1","HE5538","Coome, J. A.; Goeta, A. E.; Howard, J. A. K.; Probert, M. R.","<i>Masquerade</i>: removing non-sample scattering from integrated reflection intensities","Journal of Applied Crystallography","2012","45","2","292","298","10.1107/S0021889812000702","","","0.71073","MoKα","","0.0721","0.0457","","","0.0822","0.0896","","","","","","1.029","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"2300372","15.4307","0.0009","10.2659","0.0005","16.4124","0.0009","90","","90","","90","","2599.9","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","RG5013","Rajasekar, M.; Muthu, K.; Bhagavannarayana, G.; Meenakshisundaram, S. P.","Synthesis, structure, growth and characterization of an organic crystal: 1,5-diphenylpenta-2,4-dien-1-one","Journal of Applied Crystallography","2012","45","5","914","920","10.1107/S0021889812030403","","","0.71073","MoKα","","0.0632","0.0403","","","0.1129","0.1295","","","","","","1.069","","","","has coordinates,has Fobs","201980","2020-10-21","18:00:00",""
"2300373","7.44247","0.00011","7.445","0.0001","26.1168","0.0003","90","","125.043","0.0007","90","","1184.78","0.03","80","","","","","","","","","","","3","I 1 2 1","I 2y","5","Sulfuric_acid_octahydrate","","","- H18 O12 S -","- O12 S -","- O48 S4 -","4","1","DB5104","Maynard-Casely, Helen E.; Brand, Helen E. A.; Wallwork, Kia S.","Structure and thermal expansion of sulfuric acid octahydrate","Journal of Applied Crystallography","2012","45","6","1198","1207","10.1107/S0021889812037752","powder diffraction","","0.989536","synchrotron","","","","","","","","","7.462","9.113","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2300374","35.9422","0.0005","12.91819","0.00012","4.99532","0.00003","90","","90","","90","","2319.37","0.04","298","","298","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H30 N4 O3 -","- C25 H30 N4 O3 -","- C100 H120 N16 O12 -","4","1","DB5105","Bushmarinov, Ivan S.; Dmitrienko, Artem O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu.","Rietveld refinement and structure verification using `Morse' restraints","Journal of Applied Crystallography","2012","45","6","1187","1197","10.1107/S0021889812044147","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","0.0134","3.818","","","","","","","has coordinates","201980","2020-10-21","18:00:00",""