# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:36:21+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 3 1 2' 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
"1011216","4.793","","4.793","","4.417","","90","","90","","120","","87.9","","","","","","","","","","","","synthetic","2","P 3 1 2","P 3 2","149","","Iron nitride (2/1)","Siderazot","- Fe2 N -","- Fe2 N -","- Fe6 N3 -","3","0.5","","Hendricks, S. B.; Kosting, P. R.","The crystal structure of Fe2P, Fe2N, Fe3N and FeB Locality: synthetic Note: forms solid solution with siderazot","Zeitschrift fur Kristallographie","1930","74","","511","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011217","4.668","","4.668","","4.362","","90","","90","","120","","82.3","","","","","","","","","","","","synthetic","2","P 3 1 2","P 3 2","149","","Iron nitride (3/1)","Siderazot","- Fe3 N -","- Fe3 N -","- Fe6 N2 -","2","0.333333","","Hendricks, S B; Kosting, P R","The crystal structure of Fe2 P, Fe2 N, Fe3 N and Fe B.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","511","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1510798","4.9253","","4.9253","","6.3884","","90","","90","","120","","134.211","","","","","","","","","","","","","3","P 3 1 2","P 3 2","149","","Pb1.5 (B O2.25)2","","- B2 O4.5 Pb1.5 -","- B2 O4.5 Pb1.4904 -","- B2 O4.5 Pb1.4904 -","1","0.166667","","Al'-Ama, A.G.; Stefanovich, S.Yu.; Belokoneva, E.L.; Kurazhkovskaya, V.S.; Dimitrova, O.V.; Kabalov, Yu.K.","New oxygen- and lead-deficient lead borate Pb(I)0.9 Pb(II)0.6 (B O2.25)2 = 2 Pb0.75 (B O2.25) and its relation to aragonite and calcite structures","Kristallografiya","2002","47","","24","29","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1522217","5.06566","","5.06566","","5.40394","","90","","90","","120","","120.092","","","","","","","","","","","","","4","P 3 1 2","P 3 2","149","","Sr (Ge Te O6)","","- Ge O6 Sr Te -","- Ge O6 Sr Te -","- Ge O6 Sr Te -","1","0.166667","","Woodward, P.M.; Sleight, A.W.; Grey, C.P.; Du, L.-S.","Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6","Journal of Solid State Chemistry","1999","147","","99","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522219","5.09496","","5.09496","","11.57963","","90","","90","","120","","260.32","","","","","","","","","","","","","4","P 3 1 2","P 3 2","149","","Ba (Ge Te O6)","","- Ba Ge O6 Te -","- Ba Ge O6 Te -","- Ba2 Ge2 O12 Te2 -","2","0.333333","","Woodward, P.M.; Sleight, A.W.; Du, L.-S.; Grey, C.P.","Structural studies and order-disorder phenomenon in a series of new quaternary tellurates of the type A(2+) M(4+) Te(6+) O6 and A(1+)2 M(4+) Te(6+) O6","Journal of Solid State Chemistry","1999","147","","99","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528711","5.298","","5.298","","5.375","","90","","90","","120","","130.657","","","","","","","","","","","","","3","P 3 1 2","P 3 2","149","","Pb (Sb2 O6)","","- O6 Pb Sb2 -","- O6 Pb Sb2 -","- O6 Pb Sb2 -","1","0.166667","","Magneli, A.","The crystal structure of lead metantimonate and isomorphous compounds","Arkiv foer Kemi, Mineralogi och Geologi, B","1941","15","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529520","6.82802","","6.82802","","7.80807","","90","","90","","120","","315.256","","","","","","","","","","","","","5","P 3 1 2","P 3 2","149","","K Co (Au (C N)2)3","","- C6 Au3 Co K N6 -","- C6 Au3 Co K N6 -","- C6 Au3 Co K N6 -","1","0.166667","","Abrahams, S.C.; Bernstein, J.L.; Eisenmann, E.T.; Liminga, R.","Piezoelectric K Co (Au (C N)2)3: Room temperature crystal structure of cobalt-hardened gold electrodeposition process component","Journal of Chemical Physics","1980","73","","4585","4590","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530197","4.986","","4.986","","4.755","","90","","90","","120","","102.373","","","","","","","","","","","","","2","P 3 1 2","P 3 2","149","","U V2 O6","","- U V2 -","- U V2 -","- U V2 -","1","0.166667","","Kovba, L.M.; Wang Shihua; Sirotkina, E.I.","About the interaction of uranium oxide with oxides of vanadium and niobium","Doklady Akademii Nauk SSSR","1963","148","","113","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530450","5.6327","","5.6327","","5.2209","","90","","90","","120","","143.453","","","","","","","","","","","","","3","P 3 1 2","P 3 2","149","","Zr O.4 D.1","","- D0.1 O0.4 Zr -","- D0.13 O0.34 Zr -","- D0.78 O2.04 Zr6 -","6","1","","Mukawa, S.; Hirabayashi, M.; Kajitani, T.","Site occupation and local mode of hydrogen in Zr O0.4 studied by time-of-flight neutron scattering","Journal of the Less-Common Metals","1984","103","","19","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530588","4.789","","4.789","","4.41","","90","","90","","120","","87.591","","","","","","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe3 N -","- Fe3 N -","- Fe6 N2 -","2","0.333333","","Pinsker, Z.G.; Kaverin, S.V.","The electron diffraction analysis of the structure of the hexagonal iron nitrides","Doklady Akademii Nauk SSSR","1954","96","","519","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2013107","6.9219","0.001","6.9219","0.001","8.1465","0.0016","90","","90","","120","","338.03","0.1","293","2","293","2","","","","","","","","5","P 3 1 2","P 3 2","149","Potassium manganese(II) dicyanoargentate(I)","Potassium manganese(II) dicyanoargentate(I)","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","BC1004","Geiser, Urs; Schlueter, John A.","KMnAg~3~(CN)~6~, a new triply interpenetrating network solid","Acta Crystallographica Section C","2003","59","3","i21","i23","10.1107/S0108270103001264","","","0.71073","MoKα","","0.012","0.012","","","0.032","0.032","","","","","","1.112","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"2103340","15.5079","","15.5079","","11.6143","","90","","90","","120","","2418.97","","","","","","","","","","","","","8","P 3 1 2","","","","","","- C77 H69 Co F6 N3 O2 P7 Pd2 -","- C81 H60 F6 N3 O2 P7 Pd3 -","- C81 H60 F6 N3 O2 P7 Pd3 -","1","0.166667","BK0117","Marsh, Richard E.","The space groups of point group <i>C</i>~3~: some corrections, some comments","Acta Crystallographica Section B","2002","58","5","893","899","10.1107/S0108768102011758","","","","","","","","","","","","","","","","","","","","","has coordinates","199473","2020-10-21","18:00:00",""
"2310869","4.716","","4.716","","4.394","","90","","90","","120","","84.633","","","","","","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe3 N -","- Fe3 N -","- Fe6 N2 -","2","0.333333","","Jack, K.H.","The iron - nitrogen system. The crystal structures of epsilon-phase iron nitrides","Acta Crystallographica (1,1948-23,1967)","1952","5","","404","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310870","4.787","","4.787","","4.42","","90","","90","","120","","87.716","","","","","","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe2 N -","- Fe2 N -","- Fe6 N3 -","3","0.5","","Jack, K.H.","The iron - nitrogen system. The crystal structures of epsilon-phase iron nitrides","Acta Crystallographica (1,1948-23,1967)","1952","5","","404","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310871","9.215","","9.215","","4.344","","90","","90","","120","","319.456","","","","","","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe24 N10 -","- Fe24 N10 -","- Fe24 N10 -","1","0.166667","","Jack, K.H.","The iron - nitrogen system. The crystal structures of epsilon-phase iron nitrides","Acta Crystallographica (1,1948-23,1967)","1952","5","","404","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4000973","4.7241","0.0002","4.7241","0.0002","4.3862","0.0002","90","","90","","120","","84.773","0.006","293","2","293","2","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe3 N1.08 -","- Fe3 N1.082 -","- Fe6 N2.164 -","2","0.333333","","Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich","High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x","Chemistry of Materials","2009","21","2","392","","10.1021/cm802721k","","","0.56083","AgKα","","0.0339","0.0189","","","0.0453","0.0556","","","","","","1.129","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4104124","6.8576","0.0002","6.8576","0.0002","8.2251","0.0004","90","","90","","120","","334.98","0.02","295","","295","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.033","0.019","","0.0225","0.0198","0.0193","","","","","","0.4331","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104125","6.7652","0.0001","6.7652","0.0001","8.3094","0.0004","90","","90","","120","","329.353","0.017","100","","100","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.0266","0.0194","","0.0212","0.02","0.0194","","","","","","0.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104126","6.8107","0.0001","6.8107","0.0001","8.2665","0.0003","90","","90","","120","","332.075","0.014","205","","205","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.032","0.0185","","0.018","0.0161","0.0156","","","","","","0.4574","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4104127","6.9098","0.0002","6.9098","0.0002","8.1724","0.0004","90","","90","","120","","337.92","0.02","395","","395","","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","- C6 Au3 Cd K N6 -","1","0.166667","","Jasmine L. Korčok; Michael J. Katz; Daniel B. Leznoff","Impact of Metallophilicity on ""Colossal"" Positive and Negative Thermal Expansion in a Series of Isostructural Dicyanometallate Coordination Polymers","Journal of the American Chemical Society","2009","131","","4866","4871","10.1021/ja809631r","","","0.71073","MoKα","","0.0575","0.0244","","0.0356","0.0246","0.0233","","","","","","0.5305","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117620","6.9154","0.0002","6.9154","0.0002","8.1399","0.0004","90","","90","","120","","337.12","0.02","300","","300","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.028","0.0259","","0.0654","0.0619","0.0654","","","","","","0.8527","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117621","6.8904","0.0002","6.8904","0.0002","8.1649","0.0004","90","","90","","120","","335.71","0.02","250","","250","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0287","0.0267","","0.0694","0.0638","0.0694","","","","","","0.9169","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117622","6.866","0.0002","6.866","0.0002","8.1895","0.0004","90","","90","","120","","334.35","0.02","200","","200","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0257","0.0242","","0.0599","0.0583","0.0599","","","","","","0.8782","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117623","6.8431","0.0002","6.8431","0.0002","8.2137","0.0004","90","","90","","120","","333.1","0.02","150","","150","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0239","0.0237","","0.0598","0.057","0.0598","","","","","","0.9461","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4117624","6.8214","0.0002","6.8214","0.0002","8.2353","0.0004","90","","90","","120","","331.86","0.02","100","","100","","","","","","","","","5","P 3 1 2","P 3 2","149","","Potassium Manganese Dicyanoargentate","","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","- C6 Ag3 K Mn N6 -","1","0.166667","","Andrew B. Cairns; Amber L. Thompson; Matthew G. Tucker; Julien Haines; Andrew L. Goodwin","Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN)2]3","Journal of the American Chemical Society","2012","134","","4454","4456","10.1021/ja204908m","","","0.71073","MoKα","","0.0178","0.0178","","0.042","0.042","0.042","","","","","","0.9328","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4130627","21.6406","0.0013","21.6406","0.0013","16.2448","0.0011","90","","90","","120","","6588.5","0.7","123","2","123","2","","","","","","","","4","P 3 1 2","P 3 2","149","[(p3Cu)2H]PF6","","","- C82 H79 Cu2 P6 -","- C81.974 H78.9754 Cu2 P5.998 -","- C245.922 H236.926 Cu6 P17.994 -","3","0.5","","Zall, Christopher M.; Linehan, John C.; Appel, Aaron M.","Triphosphine-Ligated Copper Hydrides for CO2 Hydrogenation: Structure, Reactivity, and Thermodynamic Studies.","Journal of the American Chemical Society","2016","138","31","9968","9977","10.1021/jacs.6b05349","","","0.71073","MoKα","","0.1273","0.0698","","","0.1805","0.223","","","","","","1.03","","","","has coordinates,has disorder","241020","2020-10-21","18:00:00",""
"4301650","7.4236","0.001","7.4236","0.001","4.2176","0.0006","90","0.014","90","0.013","120","0.018","201.29","0.06","293","2","293","2","","","","","","","","2","P 3 1 2","P 3 2","149","Sm Ga2.79","samarium-gallium","","- Ga2.41 Sm0.86 -","- Ga2.41 Sm0.864333 -","- Ga7.23 Sm2.593 -","3","0.5","","Monique Tillard; David Zitoun; Claude Belin","Structural Versatility of the ε-SmGax Phase: X-Ray, Electron Diffraction, and DFT Studies","Inorganic Chemistry","2009","48","","2399","2406","10.1021/ic801379c","","x-ray","0.71073","MoKα","","0.045","0.0348","","","0.1143","0.1177","","","","","","1.186","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4305407","9.2324","0.0007","9.2324","0.0007","4.9209","0.0005","90","","90","","120","","363.25","0.05","296","2","296","2","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C6 H30 Ge2 N6 O6 -","- C6 H30 Ge2 N6 O6 -","- C6 H30 Ge2 N6 O6 -","1","0.166667","","Felipe Gándara; Manuela E. Medina; Natalia Snejko; Berta Gómez-Lor; Marta Iglesias; Enrique Gutiérrez-Puebla; M. Angeles Monge","Two-Dimensional Hybrid Germanium Zeotype Formed by Selective Coordination of the trans-1,2-Diaminocyclohexane Isomer to the Ge Atom: Heterogeneous Acid-Base Bifunctional Catalyst","Inorganic Chemistry","2008","47","","6791","6795","10.1021/ic8004097","","","0.71073","MoKα","","0.0697","0.0575","","","0.1405","0.1456","","","","","","1.017","","","","has coordinates","270074","2021-10-24","17:53:43",""
"7017987","12.488","0.004","12.488","0.004","12.336","0.007","90","","90","","120","","1666.1","1.2","333","2","333","2","","","","","","","","5","P 3 1 2","P 3 2","149","","","","- C48 H74 Eu N11 O25 -","- C48 H66 Eu N11.04 O25.96 -","- C48 H66 Eu N11.04 O25.96 -","1","0.166667","","Zheng, Xiao-Dan; Zhang, Mei; Jiang, Long; Lu, Tong-Bu","A pair of 3D homochiral metal-organic frameworks: spontaneous resolution, single-crystal-to-single-crystal transformation and selective adsorption properties.","Dalton transactions (Cambridge, England : 2003)","2012","41","6","1786","1791","10.1039/c1dt11825k","","","0.71073","MoKα","","0.1409","0.1138","","","0.2296","0.2472","","","","","","1.018","","","","has coordinates,has disorder","179883","2020-10-21","18:00:00",""
"9017839","4.7281","","4.7281","","7.9936","","90","","90","","120","","154.756","","","","","","","","","","","","Tolbachik volcano, Kamchatka, Russia","5","P 3 1 2","P 3 2","149","","","Steklite","- Al0.89 Fe0.11 K O8 S2 -","- Al0.89 Fe0.11 K O8 S2 -","- Al0.89 Fe0.11 K O8 S2 -","","","","Murashko, M. N.; Pekov, I. V.; Krivovichev, S. V.; Chernyatyeava, A. P.; Yapaskurt, V. O.; Zadov, A. E.; Zelensky, M. E.","Steklite, KAl(SO4)2: the find at Tolbachik volcano (Kamchatka, Russia). Validation as a mineral species and crystal structure","Zapiski Rossiiskogo Mineralogicheskogo Obshchetstva","2012","141","","36","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:29:26",""