# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T20:20:57+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 42/n :1' 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
"1010890","10.82","0.01","10.82","0.01","5.95","0.01","90","","90","","90","","696.6","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Cyclo-tetrakis(phosphorus(V) nitride dichloride)","","- Cl8 N4 P4 -","- Cl8 N4 P4 -","- Cl16 N8 P8 -","2","0.25","","Ketelaar, J. A. A.; De Vries, T. A.","The Crystal Structure of Tetra Phosphonitrile Chloride , P~4~N~4~Cl~8~","Recueil des Travaux Chimiques des Pays-Bas et de la Belgique","1939","58","","1081","1099","10.1002/recl.19390581205","","","","","","","","","","","","","","","","","","","","","has coordinates","189446","2020-10-21","18:00:00",""
"1511059","8.863","","8.863","","4.441","","90","","90","","90","","348.853","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Re1.44 Co1.56 B","","- B Co1.56 Re1.44 -","- B Co1.56 Re1.44 -","- B8 Co12.48 Re11.52 -","8","1","","Kuz'ma, Yu.B.; Chepiga, M.V.","The system rhenium - cobalt - boron","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1973","9","","1688","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1529576","9.66","","9.66","","6.21","","90","","90","","90","","579.49","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I8 Li8 O24 -","8","1","","Azarova, L.A.; Pakhomov, V.I.; Mikhailova, E.M.; Vinogradov, E.E.","About similarity of crystal structures of tetragonal beta-modification of Li I O3 and Ce (I O3)4","Doklady Akademii Nauk SSSR","1972","206","","613","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529577","9.9","","9.9","","5.32","","90","","90","","90","","521.413","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Ce (I O3)4","","- Ce I4 O12 -","- Ce I4 O12 -","- Ce2 I8 O24 -","2","0.25","","Azarova, L.A.; Vinogradov, E.E.; Mohailova, E.M.; Pakhomov, V.I.","About similarity of crystal structures of tetragonal beta-modification of Li I O3 and Ce (I O3)4","Doklady Akademii Nauk SSSR","1972","206","","613","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537622","9.9971","","9.9971","","5.0138","","90","","90","","90","","501.089","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Ti6 D P2","","- D P2 Ti6 -","- D0.84 P2 Ti6 -","- D3.36 P8 Ti24 -","4","0.5","","Ahlzen, P.J.; Tellgren, R.; Rundqvist, S.; Andersson, Y.","Neutron diffraction studies of deuterated Ti3 P","Journal of the Less-Common Metals","1991","172","","206","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539477","10.8146","","10.8146","","5.3741","","90","","90","","90","","628.531","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","(Zr18 D P6)1.333","","- D1.333 P7.998 Zr23.994 -","- D1.2 P8 Zr24 -","- D1.2 P8 Zr24 -","1","0.125","","Ahlzen, P.J.; Rundqvist, S.; Andersson, Y.; Tellgren, R.","Neutron diffraction studies of the Zr3P-D system","Journal of the Less-Common Metals","1991","170","","263","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1539481","10.863","","10.863","","5.4347","","90","","90","","90","","641.321","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Zr3 D P","","- D P Zr3 -","- D0.78 P Zr3 -","- D6.24 P8 Zr24 -","8","1","","Ahlzen, P.J.; Andersson, Y.; Rundqvist, S.; Tellgren, R.","Neutron diffraction studies of the Zr3P-D system","Journal of the Less-Common Metals","1991","170","","263","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539485","10.0139","","10.0139","","5.0349","","90","","90","","90","","504.891","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Ti3 D P","","- D P Ti3 -","- D0.67 P Ti3 -","- D5.36 P8 Ti24 -","8","1","","Ahlzen, P.J.; Rundqvist, S.; Andersson, Y.; Tellgren, R.","Neutron diffraction studies of deuterated Ti3 P","Journal of the Less-Common Metals","1991","172","","206","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539993","7.55","","7.55","","7.47","","90","","90","","90","","425.809","","","","","","","","","","","","","4","P 42/n :1","P 4n -1n","86","","Fe (Ge (O H)6)","","- Fe Ge H6 O6 -","- Fe Ge O6 -","- Fe4 Ge4 O24 -","4","0.5","","Zemann, J.","Der Strukturtyp von Stottit","Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-)","1959","1959","","67","69","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540981","4.586","","4.586","","4.948","","90","","90","","90","","104.063","","","","","","","","","","","","","2","P 42/n :1","P 4n -1n","86","","Zr D","","- D Zr -","- D Zr -","- D4 Zr4 -","4","0.5","","Sidhu, S.S.; Satya Murthy, N.S.; Campos, F.P.; Zauberis, D.D.","Neutron and X-ray diffraction studies of non-stoichiometric metal hydrides","Advances in Chemistry Series","1963","39","","87","98","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2000420","13.015","0.001","13.015","0.001","5.6637","0.0007","90","","90","","90","","959.38","0.16","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","","","- La4 Mo2 O11 -","- La4 Mo2 O12 -","- La16 Mo8 O48 -","4","0.5","DU0314","Gall, P.; Gougeon, P.","Structure of La~4~Mo~2~O~11~ containing isolated Mo~2~O~10~ cluster units","Acta Crystallographica Section C","1992","48","11","1915","1917","10.1107/S0108270192003214","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"2107043","12.194","","12.194","","7.557","","90","","90","","90","","1123.68","","","","","","","","","","","","","9","P 42/n :1","P 4n -1n","86","","Ca7.32 K0.192 Na0.392 (Al11.448 Si12.552 O48) (C O3)1.896 Cl0.054 (S O4)0.054","","- C1.896 Al11.448 Ca7.32 Cl0.054 K0.192 Na0.392 O53.904 S0.054 Si12.552 -","- C1.896 Al11.448 Ca7.32 Cl0.054 K0.192 Na0.392 O54 S0.054 Si12.552 -","- C1.896 Al11.448 Ca7.32 Cl0.054 K0.192 Na0.392 O54 S0.054 Si12.552 -","1","0.125","","Lin, S.B.; Burley, B.J.","The crystal structure of meionite","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2024","2026","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310549","9.9","","9.9","","5.32","","90","","90","","90","","521.413","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Ce (I O3)4","","- Ce I4 O12 -","- Ce I4 O12 -","- Ce2 I8 O24 -","2","0.25","","Cromer, D.T.; Larson, A.C.","The Crystal Structure of Ce (I O3)4","Acta Crystallographica (1,1948-23,1967)","1956","9","","1015","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4331454","7.6219","","7.6219","","3.9771","","90","","90","","90","","231.043","","","","","","","","","","","","","3","P 42/n :1","P 4n -1n","86","","Eu Ir4 B4","","- B4 Eu Ir4 -","- B4 Eu Ir4 -","- B8 Eu2 Ir8 -","2","0.25","","Hiebl, K.; Sienko, M.J.; Rogl, P.","Structural chemistry and magnetic properties of the compounds Eu Os3 B4 and Eu Ir4 B4 and the solid solutions (RE) Os4 B4 - (RE) Ir4 B4 (RE = Cr, Pr, Sm)","Inorganic Chemistry","1982","21","","1128","1133","10.1021/ic00133a049","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4342503","8.425109","0.000097","8.425109","0.000097","17.47962","0.00029","90","","90","","90","","1240.75","0.03","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","blue-green corrosion product","sodium copper formate hydroxide oxide hydrate","","- C8 H18 Cu4 Na4 O23 -","- C8 H18 Cu4 Na4 O23 -","- C16 H36 Cu8 Na8 O46 -","2","0.25","","Dinnebier, Robert E.; Runčevski, Tomče; Fischer, Andrea; Eggert, Gerhard","Solid-state structure of a degradation product frequently observed on historic metal objects.","Inorganic chemistry","2015","54","6","2638","2642","10.1021/ic5027637","powder diffraction","","0.7093","MoKα1","","0.549","","","","","","","","1.595","","","","","","","has coordinates","268283","2021-08-30","06:31:23",""
"7025904","22.4915","0.0006","22.4915","0.0006","9.164","0.0003","90","","90","","90","","4635.8","0.2","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","","catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)","","- C24 H22 Gd N O7 -","- C24 H22 Gd N O7 -","- C192 H176 Gd8 N8 O56 -","8","1","","Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon","The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7004","7011","10.1039/c0dt00046a","","","0.71073","MoKα","","0.051","0.0243","","0.0675","0.0519","0.0675","","","","","","1.0509","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025905","22.4953","0.0009","22.4953","0.0009","9.183","0.0006","90","","90","","90","","4647","0.4","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","","catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)","","- C24 H22 Gd N O7 -","- C24 H22 Gd N O7 -","- C192 H176 Gd8 N8 O56 -","8","1","","Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon","The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7004","7011","10.1039/c0dt00046a","","","0.4865","synchrotron","","0.0793","0.0543","","0.0845","0.0637","0.0637","","","","","","0.9297","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025906","22.0678","0.0004","22.0678","0.0004","9.1203","0.0003","90","","90","","90","","4441.47","0.19","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","","catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)","","- C24 H22 Gd N O7 -","- C24 H22 Gd N O7 -","- C192 H176 Gd8 N8 O56 -","8","1","","Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon","The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7004","7011","10.1039/c0dt00046a","","","0.4865","synchrotron","","0.0965","0.0729","","0.0965","0.0759","0.0759","","","","","","1.0284","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025907","21.5853","0.0002","21.5853","0.0002","9.0434","0.0001","90","","90","","90","","4213.55","0.07","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","","catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)","","- C24 H22 Gd N O7 -","- C24 H22 Gd N O7 -","- C192 H176 Gd8 N8 O56 -","8","1","","Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon","The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7004","7011","10.1039/c0dt00046a","","","0.4865","synchrotron","","0.076","0.0575","","0.0744","0.0614","0.0614","","","","","","1.0248","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025908","21.3751","0.0002","21.3751","0.0002","9.0087","0.0001","90","","90","","90","","4116.03","0.07","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","","catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)","","- C24 H22 Gd N O7 -","- C24 H22 Gd N O7 -","- C192 H176 Gd8 N8 O56 -","8","1","","Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon","The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7004","7011","10.1039/c0dt00046a","","","0.4865","synchrotron","","0.0566","0.0461","","0.0693","0.0579","0.0579","","","","","","0.9251","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025909","21.0414","0.0002","21.0414","0.0002","8.9513","0.0001","90","","90","","90","","3963.1","0.07","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","","catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)","","- C24 H22 Gd N O7 -","- C24 H22 Gd N O7 -","- C192 H176 Gd8 N8 O56 -","8","1","","Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon","The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7004","7011","10.1039/c0dt00046a","","","0.4865","synchrotron","","0.048","0.036","","0.0541","0.0423","0.0423","","","","","","0.9259","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025910","20.8918","0.0002","20.8918","0.0002","8.9248","0.0002","90","","90","","90","","3895.38","0.1","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","","catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)","","- C24 H22 Gd N O7 -","- C24 H22 Gd N O7 -","- C192 H176 Gd8 N8 O56 -","8","1","","Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon","The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7004","7011","10.1039/c0dt00046a","","","0.4865","synchrotron","","0.0489","0.0388","","0.0571","0.0474","0.0474","","","","","","0.9057","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7025911","20.749","0.0003","20.749","0.0003","8.8988","0.0002","90","","90","","90","","3831.12","0.12","293","","293","","","","","","","","","5","P 42/n :1","P 4n -1n","86","","catena-((μ~2~-Benzoato-O,O')-bis(μ~2~-benzoato-O,O',O')-(dimethylformamide-O )-gadolinium)","","- C24 H22 Gd N O7 -","- C24 H22 Gd N O7 -","- C192 H176 Gd8 N8 O56 -","8","1","","Parois, Pascal; Moggach, Stephen A.; Lennie, Alistair R.; Warren, John E.; Brechin, Euan K.; Murrie, Mark; Parsons, Simon","The effect of pressure on the crystal structure of [Gd(PhCOO)3(DMF)]n to 3.7 GPa and the transition to a second phase at 5.0 GPa.","Dalton transactions (Cambridge, England : 2003)","2010","39","30","7004","7011","10.1039/c0dt00046a","","","0.4865","synchrotron","","0.0433","0.0322","","0.0477","0.0369","0.0369","","","","","","1.1218","","","","has coordinates","176453","2020-10-21","18:00:00",""
"9009575","12.1164","","12.1164","","7.581","","90","","90","","90","","1112.94","","","","","","","","","","","","Tsarasaotra, Madagascar","9","P 42/n :1","P 4n -1n","86","","","Meionite","- C0.435 Al4.344 Ca2.088 Cl0.365 K0.232 Na1.656 O25.312 S0.185 Si7.5 -","- C0.435 Al4.344 Ca2.088 Cl0.365 K0.232 Na1.656 O25.312 S0.185 Si7.5 -","- C0.87 Al8.688 Ca4.176 Cl0.73 K0.464 Na3.312 O50.624 S0.37 Si15 -","2","0.25","","Lin, S. B.; Burley, B. J.","The crystal structure of an intermediate scapolite - wernerite","Tschermaks Mineralogische und Petrographische Mitteilungen","1974","21","","196","215","10.1007/BF01081031","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009787","8.01","","8.01","","7.88","","90","","90","","90","","505.582","","","","","","","","","","","","","4","P 42/n :1","P 4n -1n","86","","","Mopungite","- H6 Na O6 Sb -","- H6 Na O6 Sb -","- H24 Na4 O24 Sb4 -","4","0.5","","Schrewelius, N.","Rontgenuntersuchung der verbindungen NaSb(OH)6, NaSbF6, NaSbO3 und gleichartiger stoffe","Zeitschrift fur Anorganische und Allgemeine Chemie","1938","238","","241","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011013","7.62","","7.62","","8.19","","90","","90","","90","","475.547","","","","","","","","","","","","Stassfurt, Germany","4","P 42/n :1","P 4n -1n","86","","","Pinnoite","- B2 H6 Mg O7 -","- B2 H6 Mg O7 -","- B8 H24 Mg4 O28 -","4","0.5","","Paton, F.; MacDonald, S. G. G.","The crystal structure of pinnoite","Acta Crystallographica","1957","10","","653","656","10.1107/S0365110X57002273","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""