# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T04:05:23+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 1 m' 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
"1511285","6.544","","6.544","","8.81","","90","","90","","120","","326.733","","","","","","","","","","","","","3","P 1 1 m","P -2","6","","Y (B O3)","","- B O3 Y -","- B O3 Y -","- B6 O18 Y6 -","6","3","","Morgan, P.E.D.; Carroll, P.J.; Lange, F.F.","Crystal structure of Y Si O2 N and a reappraisal of the ""vaterite"" type, Y B O3","Materials Research Bulletin","1977","12","","251","260","10.1016/0025-5408(77)90142-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1524954","7.021","","7.021","","9.1","","90","","90","","120","","388.481","","","","","","","","","","","","","4","P 1 1 m","P -2","6","","Y Si N O2","","- N O2 Si Y -","- N O2 Si Y -","- N6 O12 Si6 Y6 -","6","3","","Morgan, P.E.D.; Carroll, P.J.; Lange, F.F.","Crystal structure of Y Si O2 N and a reappraisal of the ""vaterite"" type, Y B O3","Materials Research Bulletin","1977","12","","251","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2002090","18.246","0.002","18.246","0.002","11.303","0.002","90","","90","","120","","3258.8","0.8","300","2","","","","","","","","","","5","P 1 1 m","P -2","6","","","","- C38 H56 Cu2 N2 O8 -","- C10.6667 Cu0.666667 N0.666667 O2.66667 -","- C32 Cu2 N2 O8 -","3","1.5","AS1018","Fujita, T.; Ohba, S.; Tokii, T.; Kato, M.","Dimeric copper(II) 2,2-dimethylpropanoate adducts with 3- or 4-picoline","Acta Crystallographica Section C","1993","49","1","144","147","10.1107/S0108270192009107","","","0.71073","MoKα","","","0.077","","","0.105","","","","","3.5","3.5","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4134531","10.005","0.004","10.007","0.004","10.196","0.004","90","","90","","89.991","0.008","1020.8","0.7","115","","115","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Te -","- In8 Ir2 Te -","- In32 Ir8 Te4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.1237","0.0747","","","0.1218","0.1314","","","","3.6","3.6","2.37","","","","has coordinates","250060","2020-10-21","18:00:00",""
"4134532","9.92","0.0006","9.9262","0.0006","10.1092","0.0006","90","","90","","89.9995","","995.43","0.1","120","","120","","","","","","","","","3","P 1 1 m","P -2","6","","","","- In8 Ir2 Se -","- In8 Ir2 Se -","- In32 Ir8 Se4 -","4","2","","Khoury, Jason F.; Rettie, Alexander J. E.; Robredo, Iñigo; Krogstad, Matthew J.; Malliakas, Christos D.; Bergara, Aitor; Vergniory, Maia G.; Osborn, Raymond; Rosenkranz, Stephan; Chung, Duck Young; Kanatzidis, Mercouri G.","The Subchalcogenides Ir<sub>2</sub>In<sub>8</sub>Q (Q = S, Se, Te): Dirac Semimetal Candidates with Re-entrant Structural Modulation.","Journal of the American Chemical Society","2020","142","13","6312","6323","10.1021/jacs.0c00809","","x-ray","0.71073","MoKα","","0.0749","0.0513","","","0.1085","0.1101","","","","3.32","3.32","2.45","","","","has coordinates","250060","2020-10-21","18:00:00",""
"7227895","9.50494","0.00026","7.58104","0.00041","3.513186","0.000064","90","","90","","128.019","0.0032","199.433","0.015","298","","298","","","","","","","","","5","P 1 1 m","P -2","6","Dichloro-bis(4-cyanopyridine)Nickel","Dichloro(4-cyanopyridine)Nickel","","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","- C6 H4 Cl2 N2 Ni -","1","0.5","","Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.","4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction","CrystEngComm","2017","19","16","2216","","10.1039/C7CE00425G","powder diffraction","","1.5406","CuKα~1~","","","","","","","","","0.01769","1.485","","","","","","","has coordinates","204140","2020-10-21","18:00:00",""
"9005674","6.981","","7.646","","17.249","","90","","90","","90.039","","920.695","","","","","","","","","","","","Repete mine, San Juan County, Utah, USA","6","P 1 1 m","P -2","6","","","Larisaite","- H22 K0.15 Na1.2 O38 Se4 U6 -","- H22 K0.15 Na1.2 O38 Se4 U6 -","- H22 K0.15 Na1.2 O38 Se4 U6 -","1","0.5","","Chukanov, N. V.; Pushcharovsky, D. Y.; Pasero, M.; Merlino, S.; Barinova, A. V.; Mockel, S.; Pekov, I. V.; Zadov, A. E.; Dubinchuk, V. T.","Larisaite, Na(H3O)(UO2)3(SeO3)2O2*4H2O, a new uranyl selenite mineral from Repete mine, San Juan County, Utah, U.S.A.","European Journal of Mineralogy","2004","16","","367","374","10.1127/0935-1221/2004/0016-0367","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""