# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T19:49:52+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m a n' 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
"1007016","8.496","0.003","11.249","0.008","5.858","0.003","90","","90","","90","","559.9","","","","","","","","","","","","","4","P m a n","-P 2ab 2","53","","Barium hexahydrogen cyclo-14-oxotetraarsenate","","- As4 Ba H6 O14 -","- As4 Ba H3 O14 -","- As8 Ba2 H6 O28 -","2","0.25","","Blum, D; Durif, A; Guitel, J C","Un arseniate acide de baryum Ba H~6~ As~4~ O~14~ . Un nouveau type d'anion cyclique: As~4~ O~14~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3222","3224","10.1107/S0567740877010619","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008713","5.3835","0.0008","5.4091","0.0008","15.784","0.002","90","","90","","90","","459.6","","","","","","","","","","","","","6","P m a n","-P 2ab 2","53","","Lead strontium yttrium calcium copper oxide (2/1.97/0.7/0.3/2.97/7.7)","","- Ca0.27 Cu2.969 O7.73 Pb2 Sr1.968 Y0.73 -","- Ca0.27 Cu2.969 O7.73 Pb2 Sr1.968 Y0.73 -","- Ca0.54 Cu5.938 O15.46 Pb4 Sr3.936 Y1.46 -","2","0.25","","Chaillout, C; Chmaissen, O; Capponi, J J; Fournier, T; McIntyre, G J; Marezio, M","The structure of superconducting Pb2 Sr2 Y0.73 Ca0.27 Cu3 O8 by single- crystal neutron diffraction","Physica C (Amsterdam) (152,1988-)","1991","175","","293","300","10.1016/0921-4534(91)90600-4","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010271","8.93","0.003","8.642","0.003","3.8","0.002","90","","90","","90","","293.3","","","","","","","","","","","","","2","P m a n","-P 2ab 2","53","","Ammonium azide","","- H4 N4 -","- H4 N4 -","- H16 N16 -","4","0.5","","Frevel, L. K.","The Crystal Structure of Ammonium Azide, NH~4~N~3~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","1-6","197","211","10.1524/zkri.1936.94.1.197","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010390","8.426","0.02","8.18","0.02","3.69","0.05","90","","90","","90","","254.3","","","","","","","","","","","","","3","P m a n","-P 2ab 2","53","","Ammonium hydrogen fluoride","","- F2 H5 N -","- F2 H5 N -","- F8 H20 N4 -","4","0.5","","Rogers, M T; Helmholz, L","A Redetermination of the Parameters in Ammonium Bifluoride","Journal of the American Chemical Society","1940","62","","1533","1536","10.1021/ja01863a057","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010616","8.33","","8.14","","3.68","","90","","90","","90","","249.5","","","","","","","","","","","","","3","P m a n","-P 2ab 2","53","","Ammonium hydrogen fluoride","","- F2 H5 N -","- F2 H6.5 N -","- F8 H26 N4 -","4","0.5","","Pauling, L","The crystal structure of ammonium hydrogen fluoride N H~4~ H F~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1933","85","","380","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1550494","8.4638","0.0005","11.1799","0.0007","5.8353","0.0004","90","","90","","90","","552.16","0.06","100","2","100","2","","","","","","","","4","P m a n","-P 2ab 2","53","","Barium hexahydrogen <i>cyclo</i>-tetradecaoxidotetraarsenate(V)","","- As4 Ba H6 O14 -","- As4 Ba H6 O14 -","- As8 Ba2 H12 O28 -","2","0.25","BT4081","Weil, Matthias","The crystal structure of BaH6As4O14 redetermined, revealing the localization of the hydrogen atoms","IUCrData","2019","4","1","","","10.1107/S2414314619000750","","","0.71073","MoKα","","0.019","0.0149","","","0.0314","0.0323","","","","","","1.051","","","","has coordinates,has Fobs","213227","2020-10-21","18:00:00",""
"1568678","7.377","0.003","7.538","0.004","10.6","0.002","90","","90","","90","","589.4","0.4","373","","373","","","","","","","","see text","5","P m a n","-P 2ab 2","53","","","","- C4 H14 Cd Cl4 N2 -","- C4 H14 Cd Cl4 N2 -","- C8 H28 Cd2 Cl8 N4 -","2","0.25","","El Mostafa Khechoubi; A. Bendani; N Guyen Ba Chanh; Christian Courseille; Robert Duplessix; Michel Couzi","Thermal conformational changes in a bidimensional molecular composite material: A thermodynamic and crystallographic study of NH3-(CH2)4-NH3 CdCl4","Journal of Physics and Chemistry of Solids","1994","55","11","1277","1288","","","x-ray","0.71073","MoKα","","","0.0284","","","0.031","","","","","","","","","","","has coordinates,has disorder","281931","2023-03-17","14:49:05",""
"2310440","8.408","","8.163","","3.67","","90","","90","","90","","251.889","","","","","","","","","","","","","3","P m a n","-P 2ab 2","53","","(N H4) (H F2)","","- F2 H5 N -","- F2 H5 N -","- F8 H20 N4 -","4","0.5","","McDonald, T.R.R.","The electron density distribution in ammonium bifluoride","Acta Crystallographica (1,1948-23,1967)","1960","13","","113","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""