# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T12:12:42+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I m 2 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
"1004150","7.534","0.007","12.992","0.012","15.555","0.012","90","","90","","90","","1522.6","","","","","","","","","","","","","3","I m 2 m","I -2 -2","44","","Thallium niobium oxide (8/27.2/72)","","- Nb27.2 O72 Tl8 -","- Nb27.2 O72 Tl8 -","- Nb27.2 O72 Tl8 -","1","0.125","","Dupont, L; Hervieu, M; Pelloquin, D; Nowogrocki, G; Touboul, M","Synthesis and crystal structure determination of Tl8 Nb27.2 O72 using TEM and single-crystal x-ray diffraction","Journal of Solid State Chemistry","1998","135","","282","292","10.1006/jssc.1997.7638","","","","","","0.097","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008882","3.507","0.0002","5.7703","0.0003","5.2701","0.0003","90","","90","","90","","106.6","","","","","","","","","","","","","2","I m 2 m","I -2 -2","44","","Sodium ozonide","","- Na O3 -","- Na O3 -","- Na2 O6 -","2","0.25","","Klein, W; Armbruster, K; Jansen, M","Synthesis and crystal structure determination of sodium ozonide","Chemical Communications","1998","1998","","707","708","","","","","","","0.037","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010525","3.55","","5.56","","5.37","","90","","90","","90","","106","","","","","","","","","","","","","3","I m 2 m","I -2 -2","44","","Sodium nitrate(III)","","- N Na O2 -","- N Na O2 -","- N2 Na2 O4 -","2","0.25","","Ziegler, G E","The Crystal Structure of Sodium Nitrite,Na N O~2~","Physical Review (1,1893-132,1963/141,1966-188,1969)","1931","38","","1040","1047","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1526568","3.642","","5.653","","5.375","","90","","90","","90","","110.662","","","","","","","","","","","","","3","I m 2 m","I -2 -2","44","","Na (N O2)","","- N Na O2 -","- N Na O2 -","- N2 Na2 O4 -","2","0.25","","Kay, M.I.","The structure of sodium nitrite at 150, 185, 225 C","Ferroelectrics","1972","4","","235","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535826","8.6044","","5.0965","","7.8395","","90","","90","","90","","343.78","","","","","","","","","","","","","3","I m 2 m","I -2 -2","44","","Ca Ni5 H1.06","","- Ca H1.06 Ni5 -","- Ca Ni5 -","- Ca4 Ni20 -","4","0.5","","Calvert, L.D.; Gainsford, G.J.; Murray, J.J.; Taylor, J.B.","Crystal structure of Ca Ni5 H using X-Ray diffraction with in situ hydriding","Materials Research Bulletin","1984","19","","107","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","208241","2020-10-21","18:00:00",""
"2021856","11.435","0.003","11.437","0.003","11.442","0.003","90","","90","","90","","1496.4","0.7","293","","293","","4.56","","","","","","","6","I m 2 m","I -2 -2","44","Ne-MAPbI3","neon methylammonium lead iodide","","- C H6 I3 N Ne1.098 Pb -","- C0.5 I3 N0.5 Ne1.09825 Pb -","- C4 I24 N4 Ne8.786 Pb8 -","8","1","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.232","0.0578","","","0.0476","0.0727","","","","1.07","1.07","0.88","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2021857","11.196","0.003","11.197","0.003","11.201","0.003","90","","90","","90","","1404.2","0.7","293","","293","","7.4","","","","","","","5","I m 2 m","I -2 -2","44","Ne-MAPbI3","neon methylammonium lead iodide","","- C0.25 I3 N0.25 Ne1.412 Pb -","- C0.25 I3 N0.25 Ne1.5 Pb -","- C2 I24 N2 Ne12 Pb8 -","8","1","","Arakcheeva, Alla; Svitlyk, Volodymyr; Polini, Eleonora; Henry, Laura; Chernyshov, Dmitry; Sienkiewicz, Andrzej; Giriat, Gaétan; Glushkova, Anastasiia; Kollar, Marton; Náfrádi, Bálint; Forro, Laszlo; Horváth, Endre","Pressure-induced transformation of CH3NH3PbI3: the role of the noble-gas pressure transmitting media","Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials","2019","75","3","361","","10.1107/S2052520619004554","","synchrotron","0.3738","synchrotron","","0.1463","0.0566","","","0.0517","0.0681","","","","1","1","0.87","","","","has coordinates","245750","2020-10-21","18:00:00",""
"2101996","3.5024","0.0006","5.5209","0.0005","5.3789","0.0009","90","","90","","90","","104.01","0.03","30","","30","","","","","","","","","3","I m 2 m","I -2 -2","44","","Sodium Nitrite","","- N Na O2 -","- N Na O2 -","- N2 Na2 O4 -","2","0.25","OS0030","Gohda, Takashi","X-ray study of deformation density and spontaneous polarization in ferroelectric NaNO~2~","Acta Crystallographica Section B","2000","56","1","11","16","10.1107/S010876819901054X","","","0.71073","MoKα","","","0.014","","","","0.0215","","","","","","1.7937","","","","has coordinates","283803","2023-05-16","08:05:53",""
"4002359","15.471","","7.239","","12.064","","90","","90","","90","","1351.1","","","","","","","","","","","","","5","I m 2 m","I -2 -2","44","","Cs3 ((U O2)3 O2 (O H)3)2 Cl (H2 O)3","","- Cl Cs3 H12 O25 U6 -","- Cl Cs3 O25 U6 -","- Cl2 Cs6 O50 U12 -","2","0.25","","Li, Y.-P.; Cahill, C.L.; Burns, P.C.","Synthesis, structural characterization and topological rearrangement of a novel open framework U-O material: (N H4)3 (H2 O)2 ((U O2)10 O10 (O H) ((U O4) (H2 O)2)","Chemistry of Materials (1,1989-)","2001","13","","4026","4041","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4340644","14.3316","0.00015","26.15085","0.00031","3.83623","0.00003","90","","90","","90","","1437.76","0.03","298","","298","","","","","","","","","3","I m 2 m","I -2 -2","44","","","","- Ag Nb7 O18 -","- Ag1.016 Nb7 O18 -","- Ag4.064 Nb28 O72 -","4","0.5","","Woodward, David I.; Beanland, Richard","AgNb7O18: An Ergodic Relaxor Ferroelectric.","Inorganic chemistry","2014","53","17","8941","8948","10.1021/ic5007346","powder diffraction","","1.5406","CuKα~1~","","0.04848","","","","","","","","1.196","","","","","","","has coordinates","179509","2020-10-21","18:00:00",""
"6000548","8.2979","","6.3302","","5.8823","","90","","90","","90","","308.98","","","","","","","","","","","","","3","I m 2 m","","","","","","- O4 Tl3 V -","","","","","","Jouanneaux, A.; Joubert, O.; Fitch, A. N.; Ganne, M.","Structure determination of beta-TL3VO4 from synchrotron radiation powder diffraction data - stereochemical role of the lone pair of Thallium(I)","Materials Research Bulletin","1991","26","","973","982","10.1016/0025-5408(91)90078-Z","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7203455","12.7148","0.0008","4.4248","0.0003","11.6928","0.0007","90","","90","","90","","657.84","0.07","293","2","293","2","","","","","","","","5","I m 2 m","I -2 -2","44","","","","- C13 H14 Cl2 Co N2 -","- C13 H14 Cl2 Co N2 -","- C26 H28 Cl4 Co2 N4 -","2","0.25","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","New metal?organic frameworks and supramolecular arrays assembled with the bent ditopic ligand 4,4-diaminodiphenylmethane","CrystEngComm","2006","8","9","696","","10.1039/b606482e","","","0.71073","MoKα","","0.0409","0.0264","","0.0437","0.0411","","","","0.93","","","","","","","has coordinates","180365","2020-10-21","18:00:00",""
"8103724","3.665","","5.67","","5.358","","90","","90","","90","","111.342","","","","","","","","","","","","","3","I m 2 m","I -2 -2","44","","Na N O2","","- N Na O2 -","- N Na O2 -","- N2 Na2 O4 -","2","0.25","","Boehm, H.","X-ray structure determination of the modulated phase of Na N O2","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (145,1977-148,1979)","1978","148","","207","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""