# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T16:06:15+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P b m a' 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
"1001150","12.31","","7.19","","4.115","","90","","90","","90","","364.2","","","","","","","","","","","","","3","P b m a","-P 2a 2ab","57","","Uranium(V) vanadium oxide","","- O5 U V -","- O5 U V -","- O20 U4 V4 -","4","0.5","","Chevalier, R; Gasperin, M","Structure cristalline de U V O~5~","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977)","1970","93","","18","22","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010479","8.32","","8.28","","5.9","","90","","90","","90","","406.4","","","","","","","","","","","","","5","P b m a","-P 2a 2ab","57","","Potassium amidosulfate","","- H2 K N O3 S -","- H2 K N O3 S -","- H8 K4 N4 O12 S4 -","4","0.5","","Brown, C J; Cox, E G","The Crystal Structure of Potassium Sulphamate","Journal of the Chemical Society","1940","1940","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1010759","5.74","0.01","5.81","0.01","11.405","0.03","90","","90","","90","","380.3","","","","","","","","","","","","from Moose Horn Mine, Elk Lake, Ontario","2","P b m a","-P 2a 2ab","57","","Nickel arsenide (1/2)","Maucherite","- As2 Ni -","","","8","1","","Peacock, M A; Berry, L G","Roentgenographic observations on ore minerals","University of Toronto Studies, Geological Series","1940","44","","47","69","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1533609","5.6099","","44.8608","","4.9979","","90","","90","","90","","1257.8","","","","","","","","","","","","","2","P b m a","-P 2a 2ab","57","","Pb O","","- O Pb -","- O Pb -","- O32 Pb32 -","32","4","","Baldinozzi, G.; Raulot, J.M.; Petricek, V.","Reinvestigation of the incommensurate structure of alpha-(Pb O)","Materials Research Society Symposia Proceedings","2003","755","","465","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2105987","23.4","0.05","16.2","0.04","20","0.05","90","","90","","90","","7582","3","293","2","293","2","","","","","","","","2","P b m a","-P 2a 2ab","57","","","","- Al46 Ru14 -","- Al46 Ru14 -","- Al368 Ru112 -","8","1","WF5113","Samuha, Shmuel; Mugnaioli, Enrico; Grushko, Benjamin; Kolb, Ute; Meshi, Louisa","Atomic structure solution of the complex quasicrystal approximant Al~77~Rh~15~Ru~8~ from electron diffraction data","Acta Crystallographica Section B","2014","70","6","999","1005","10.1107/S2052520614022033","","","0.0197","","","0.327","0.3215","","","0.6269","0.6338","","","","","","2.108","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2311718","13.1442","0.0008","13.9946","0.0008","6.4272","0.0003","90","","90","","90","","1182.27","0.11","220","","220","","","","","","","","","5","P b m a","-P 2a 2ab","57","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.05","0.0391","","0.074","0.0711","0.074","","","","","","0.9999","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311719","13.1361","0.001","14.0158","0.0011","6.4831","0.0005","90","","90","","90","","1193.62","0.16","260","","260","","","","","","","","","5","P b m a","-P 2a 2ab","57","","Tetramethylammonium tetrachloroferrate(III)","","- C4 H12 Cl4 Fe N -","- C4 H12 Cl4 Fe N -","- C16 H48 Cl16 Fe4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0674","0.0503","","0.1125","0.1063","0.1125","","","","","","1","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311725","12.8303","0.0004","14.0961","0.0004","6.3359","0.0002","90","","90","","90","","1145.89","0.06","180","","180","","","","","","","","","5","P b m a","-P 2a 2ab","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0414","0.0399","","0.0914","0.0912","0.0914","","","","","","0.9773","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311726","12.8329","0.0007","14.1248","0.0004","6.3718","0.0003","90","","90","","90","","1154.97","0.09","226","","226","","","","","","","","","5","P b m a","-P 2a 2ab","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0478","0.0464","","0.0941","0.094","0.0941","","","","","","1","","","","has coordinates","246094","2020-10-21","18:00:00",""
"2311727","12.8736","0.0003","14.1743","0.0003","6.4043","0.0002","90","","90","","90","","1168.62","0.05","249","","249","","","","","","","","","5","P b m a","-P 2a 2ab","57","","tetramethylammonium tetrachlorogallate","","- C4 H12 Cl4 Ga N -","- C4 H12 Cl4 Ga N -","- C16 H48 Cl16 Ga4 N4 -","4","0.5","","Binns, Jack; McIntyre, Garry J.; Barreda-Argüeso, José A; González, Jesús; Aguado, Fernando; Rodríguez, Fernando; Valiente, Rafael; Parsons, Simon","Phase transition sequences in tetramethylammonium tetrachlorometallates by X-ray diffraction and spectroscopic measurements.","Acta crystallographica Section B, Structural science, crystal engineering and materials","2017","73","Pt 5","844","855","10.1107/S2052520617006412","","","0.71073","MoKα","","0.0543","0.051","","0.1055","0.1052","0.1055","","","","","","1","","","","has coordinates","246094","2020-10-21","18:00:00",""
"4078388","12.771","0.006","14.478","0.006","8.755","0.004","90","","90","","90","","1618.8","1.3","293","2","293","2","","","","","","","","5","P b m a","-P 2a 2ab","57","","","","- C6 H10 O1.5 Si W0.5 -","- C6 H10 O1.5 Si W0.5 -","- C48 H80 O12 Si8 W4 -","8","1","","Ueno, Keiji; Masuko, Akira; Ogino, Hiroshi","Synthesis, Structure, and Fluxional Behavior of Donor-Stabilized Bis(silylene)tungsten Complexes","Organometallics","1997","16","23","5023","","10.1021/om970609h","","","0.71073","MoKα","","0.0852","0.0617","","0.1494","0.138","","","","0.96","1.035","1.035","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512913","23.2598","0.0014","19.1365","0.0008","11.8928","0.0007","90","","90","","90","","5293.6","0.5","291.45","0.1","291.45","0.1","","","","","","","","5","P b m a","-P 2a 2ab","57","","","","- C40 H46 N O39 Tb3 -","- C40 H46 N O39 Tb3 -","- C160 H184 N4 O156 Tb12 -","4","0.5","","Wang, Wen; Yang, Jie; Wang, Rongming; Zhang, Liangliang; Yu, Jianfeng; Sun, Daofeng","Luminescent Terbium-Organic Framework Exhibiting Selective Sensing of Nitroaromatic Compounds (NACs)","Crystal Growth & Design","2015","15","6","2589","","10.1021/acs.cgd.5b00381","","x-ray","0.71073","MoKα","","0.0681","0.0572","","","0.1537","0.1641","","","","","","1.074","","","","has coordinates","138044","2020-10-21","18:00:00",""
"6000576","7.1743","","7.0967","","8.8323","","90","","90","","90","","449.69","","","","","","","","","","","","","4","P b m a","","","","","","- C D6 I N -","","","","","","Yamamuro, O.; Matsuo, T.; Suga, H.; David, W. I. F.; Ibberson, R. M.; Leadbetter, A. J.","Neutron-diffraction and calorimetric studies of methylammonium iodide","Acta Crystallographica B","1992","48","3","329","336","10.1107/S0108768192000260","","","","","","","","","","","","","","","","","","","","","","188606","2020-10-21","18:00:00",""
"9004531","11.796","","13.89","","6.471","","90","","90","","90","","1060.25","","","","","","","","","","","","","3","P b m a","-P 2a 2ab","57","","","Hanawaltite","- Cl2 Hg7 O3 -","- Cl2 Hg7 O3 -","- Cl8 Hg28 O12 -","4","0.5","","Grice, J. D.","Redetermination of the crystal structure of hanawaltite","The Canadian Mineralogist","1999","37","","775","778","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9008960","5.891","","4.775","","5.489","","90","","90","","90","","154.403","","","","","","","","","","","","","2","P b m a","-P 2a 2ab","57","","","","- O Pb -","- O Pb -","- O4 Pb4 -","4","0.5","","Wyckoff, R. W. G.","Second edition. Interscience Publishers, New York, New York Sample known as yellow plumbous oxide","Crystal Structures","1963","1","","85","237","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:28",""
"9013973","11.777","","13.891","","6.46","","90","","90","","90","","1056.82","","","","","","","","","","","","Clear Creek claim, San Benito County, California","3","P b m a","-P 2a 2ab","57","","","Hanawaltite","- Cl2 Hg7 O3 -","- Cl2 Hg7 O3 -","- Cl8 Hg28 O12 -","4","0.5","","Roberts, A. C.; Grice, J. D.; Gault, R. A.; Criddle, A. J.; Erd, R. C.","Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from the Clear Creek claim, San Benito County, California: Description and crystal structure","Powder Diffraction","1996","11","","45","50","10.1017/S0885715600008915","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014048","5.5679","","15.5156","","5.5029","","90","","90","","90","","475.392","","","","","","","","","","","","Synthetic","3","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","1","","Hewat, A. W.","Neutron powder profile refinement of ferroelectric and antiferroelectric crystal structures: sodium niobate at 22 deg C","Ferroelectrics","1974","7","","83","85","10.1080/00150197408237955","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014118","5.566","","15.52","","5.506","","90","","90","","90","","475.632","","","","","","","","","","","","Synthetic","3","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","1","","Sakowski-Cowley A C; Lukaszewicz, K.; Megaw, H. D.","The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures","Acta Crystallographica, Section B","1969","25","","851","865","10.1107/S0567740869003141","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014483","5.5625","","15.5495","","5.5138","","90","","90","","90","","476.911","","","","","","","","","","","","Synthetic","3","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.00","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9014531","5.5428","","15.5632","","5.5094","","90","","90","","90","","475.261","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.9 O2.95 Ti0.1 -","- Na Nb0.9 O2.95005 Ti0.1 -","- Na8 Nb7.2 O23.6004 Ti0.8 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.1","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015148","5.5396","","15.5705","","5.5087","","90","","90","","90","","475.149","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.85 O2.925 Ti0.15 -","- Na Nb0.85 O2.925 Ti0.15 -","- Na8 Nb6.8 O23.4 Ti1.2 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.15","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015824","5.5303","","15.5677","","5.5072","","90","","90","","90","","474.137","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.8 O2.9 Ti0.2 -","- Na Nb0.8 O2.89995 Ti0.2 -","- Na8 Nb6.4 O23.1996 Ti1.6 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.2","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""
"9016224","5.5528","","15.5597","","5.514","","90","","90","","90","","476.409","","","","","","","","","","","","Synthetic","4","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb0.95 O2.975 Ti0.05 -","- Na Nb0.95 O2.97495 Ti0.05 -","- Na8 Nb7.6 O23.7996 Ti0.4 -","8","1","","Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.","A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.05","Chemistry of Materials","2003","15","","1872","1878","10.1021/cm020963s","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""