# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T14:21:00+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m n 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
"1001392","5.861","0.002","20.2","0.006","4.501","","90","","90","","90","","532.9","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","Nickel borouranate * 00000100","","- B4 Ni7 O16 U -","- B4 Ni7 O16 U -","- B8 Ni14 O32 U2 -","2","0.25","","Gasperin, M","Synthese et structure du tetraborouranate de nickel, Ni~7~ B~4~ U O~16~","Acta Crystallographica C (39,1983-)","1989","45","","981","983","","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010761","3.53","0.01","4.78","0.01","5.78","0.01","90","","90","","90","","97.5","","","","","","","","","","","","from Eisleben, Thurinqia, Germany","2","P m n n","-P 2n 2","58","","Nickel arsenide (1/2)","Rammelsbergite","- As2 Ni -","","","2","0.25","","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",""
"1011006","3.849","","5.34","","6.26","","90","","90","","90","","128.7","","","","","","","","","","","","synthetic at 523 K","2","P m n n","-P 2n 2","58","","Iron telluride (1/2)","Frohbergite","- Fe Te2 -","- Fe Te2 -","- Fe2 Te4 -","2","0.25","","Tengner, S","Ueber Diselenide und Ditelluride von Eisen, Kobalt und Nickel","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","126","132","10.1002/zaac.19382390203","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011007","3.575","","4.791","","5.715","","90","","90","","90","","97.9","","","","","","","","","","","","","2","P m n n","-P 2n 2","58","","Iron selenide (1/2)","Ferroselite","- Fe Se2 -","- Fe Se2 -","- Fe2 Se4 -","2","0.25","","Tengner, S","Ueber Diselenide und Ditelluride von Eisen, Kobalt und Nickel","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","126","132","10.1002/zaac.19382390203","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011357","3.882","","5.301","","6.298","","90","","90","","90","","129.6","","","","","","","","","","","","synthetic","2","P m n n","-P 2n 2","58","","Cobalt(IV) telluride","Mattagamite","- Co Te2 -","- Co Te2 -","- Co2 Te4 -","2","0.25","","Tengner, S","Ueber Diselenide und Ditelluride von Eisen, Kobalt und Nickel","Zeitschrift fuer Anorganische und Allgemeine Chemie","1938","239","","126","132","10.1002/zaac.19382390203","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1520998","6.152","","16.214","","9.484","","90","","90","","90","","946.015","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","K Ni4 (P O4)3","","- K Ni4 O12 P3 -","- K Ni4 O12 P3 -","- K4 Ni16 O48 P12 -","4","0.5","","Daidouh, A.; Pico, C.; Veiga, M.L.","Structure features and ionic conductivity of the A M4 (P O4)3 orthophosphates: (A = Na, K, Rb; M = Ni, Mn)","Solid State Ionics","1999","124","","109","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520999","6.45","","16.73","","9.87","","90","","90","","90","","1065.06","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","Rb Mn4 (P O4)3","","- Mn4 O12 P3 Rb -","- Mn4 O12 P3 Rb -","- Mn16 O48 P12 Rb4 -","4","0.5","","Daidouh, A.; Pico, C.; Veiga, M.L.","Structure features and ionic conductivity of the A M4 (P O4)3 orthophosphates: (A = Na, K, Rb; M = Ni, Mn)","Solid State Ionics","1999","124","","109","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524906","13.879","","13.835","","9.942","","90","","90","","90","","1909.02","","","","","","","","","","","","","10","P m n n","-P 2n 2","58","","Ce2 Fe0.5 Mn0.5 Na6.8 Ca2.6 (Be6 Si14 O39.32) O0.88 (O H)5.8 F2","","- Be6 Ca2.6 Ce2 F2 Fe0.5 H5.8 Mn0.5 Na6.8 O46 Si14 -","- Be6 Ca2.6 Ce2 F2 Fe0.5 Mn0.5 Na6.8 O46 Si14 -","- Be12 Ca5.2 Ce4 F4 Fe Mn Na13.6 O92 Si28 -","2","0.25","","Mazzi, F.; Ungaretti, L.; Ronsbo, J.G.; dal Negro, A.; Petersen, O.V.","The crystal structure of semenovite","American Mineralogist","1979","64","","202","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528414","2.8535","","4.6056","","4.3443","","90","","90","","90","","57.093","","","","","","","","","","","","","2","P m n n","-P 2n 2","58","","","","- Co2 N -","- Co2 N -","- Co4 N2 -","2","0.25","","Clarke, J.; Jack, K.H.","The Preparation and the Crystal Structures of Cobalt Nitride, Co2 N, of Cobalt Carbonitrides, Co2 (C,N) and of Cobalt Carbide, Co2 C","Chemistry and Industry (London)","1951","1951","","1004","1005","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528415","2.8969","","4.4465","","4.3707","","90","","90","","90","","56.299","","","","","","","","","","","","","2","P m n n","-P 2n 2","58","","Co2 C","","- C Co2 -","- C Co2 -","- C2 Co4 -","2","0.25","","Clarke, J.; Jack, K.H.","The preparation and the crystal structures of cobalt nitride, Co2 N, of cobalt carbonitrides, Co2 (C, N) and of cobalt carbide, Co2 C","Chemistry and Industry (London)","1951","1951","","1004","1005","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530003","10.072","","12.148","","12.722","","90","","90","","90","","1556.6","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","Na7 (H3 O) (Nb6 O19) (H2 O)14","","- H31 Na7 Nb6 O34 -","- Na7 Nb6 O34 -","- Na14 Nb12 O68 -","2","0.25","","Goiffon, A.; Maurin, M.; Philippot, E.","Structure cristalline du niobate 7/6 de sodium (Na7) (H3 O) Nb6 O19, (H2 O)14","Revue de Chimie Minerale","1980","17","","466","476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531484","5.49","","7.946","","6.929","","90","","90","","90","","302.268","","","","","","","","","","","","","5","P m n n","-P 2n 2","58","","Li In (P O3 (O H))2","","- H2 In Li O8 P2 -","- H2 In Li O8 P2 -","- H4 In2 Li2 O16 P4 -","2","0.25","","Gurbanova, O.A.; Dimitrova, O.V.; Belokoneva, E.L.; Al'-Ama, A.G.","The new phosphate Li In (P O3 (O H))2: Synthesis and crystal structure","Zhurnal Neorganicheskoi Khimii","2001","46","","1442","1448","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532003","2.808","","4.863","","4.4869","","90","","90","","90","","61.27","","","","","","","","","","","","","2","P m n n","-P 2n 2","58","","Pd2 N","","- N Pd2 -","- N Pd2 -","- N2 Pd4 -","2","0.25","","Prior, T.J.; Battle, P.D.","Facile synthesis of interstitial metal nitrides with the filled beta-manganese structure","Journal of Solid State Chemistry","2003","172","","138","147","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532732","2.9369","","4.9114","","4.6451","","90","","90","","90","","67.002","","","","","","","","","","","","","2","P m n n","-P 2n 2","58","","","","- Mn N0.484 -","- Mn N0.484 -","- Mn4 N1.936 -","4","0.5","","Leineweber, A.; Jacobs, H.; Kockelmann, W.","Nitrogen ordering in zeta-(manganese nitrides) with hcp arrangement of Mn - Mn Ny with 0.39 < y < 0.48 - determined by neutron diffraction","Journal of Alloys Compd.","2004","368","","229","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1544370","8.24","","8.68","","4.84","","90","","90","","90","","346.172","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","NaAlSi3O8 kumdykolite","","kumdykolite","- Al Na O8 Si3 -","- Al3 Na O8 Si -","- Al6 Na2 O16 Si2 -","2","0.25","","Hwang, S.-L.; Shen, P.; Chu, H.-T.; Yui, T.-F.; Liou, J.G.; Sobolev, N.V.","Kumdykolite, an orthorhombic polymorph of albite, from the Kokchetav ultrahigh-pressure massif, Kazakhstan Note: Na positon from Nemeth et al., Am. Mineral., 98, 1070-1073, 2013","Europian Journal of Mineralogy","2009","21","","1325","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","187610","2020-10-21","18:00:00",""
"2000746","8.794","0.003","20.333","0.007","4.247","0.002","90","","90","","90","","759.4","0.5","","","","","","","","","","","","5","P m n n","-P 2n 2","58","","","","- C10 H4 Ag N2 S8 -","- C10 H4 Ag N2 S8 -","- C20 H8 Ag2 N4 S16 -","2","0.25","ST0531","Morosin, B.; Nigrey, P. J.","Structure of bis(methylenedithio)tetrathiafulvalene dicyanoargentate(I)","Acta Crystallographica Section C","1992","48","7","1216","1218","10.1107/S0108270191014282","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206034","2020-10-21","18:00:00",""
"2001012","6.749","0.001","9.699","0.002","19.204","0.001","90","","90","","90","","1257.1","0.3","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","","","- C32 H24 N4 O2 -","- C32 H24 N4 O2 -","- C64 H48 N8 O4 -","2","0.25","AB0239","Thorup, N.; Hjorth, M.; Christensen, J. B.; Bechgaard, K.","Structure of a charge-transfer complex of 3,8-diethyl-5,10-dimethyl-1,6-dioxapyrene (DEDMDOP) with 7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TCNQ)","Acta Crystallographica Section C","1992","48","3","530","533","10.1107/S0108270191010284","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","206034","2020-10-21","18:00:00",""
"2300528","4.083","","7.043","","11.219","","90","","90","","90","","322.62","","","","","","","","","","","","","4","P m n n","-P 2n 2","58","","Ag S C N","","- C Ag N S -","- C Ag N S -","- C4 Ag4 N4 S4 -","4","0.5","","Smith, D.L.; Maskasky, J.E.; Spaulding, L.R.","Polymorphism in silver thiocyanate. Preparation of a new phase and its characterization by X-ray powder diffraction","Journal of Applied Crystallography","1982","15","","488","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4516572","9.333","0.0019","5.848","0.0012","3.7735","0.0008","90","","90","","90","","205.96","0.07","295","2","295","2","","","620000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0458","0.0346","","","0.0872","0.096","","","","","","1.204","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516573","9.312","0.013","5.835","0.009","3.743","0.006","90","","90","","90","","203.4","0.5","295","2","295","2","","","690000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.1027","0.079","","","0.0818","0.0888","","","","","","1.342","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516574","9.301","0.0019","5.735","0.0011","3.712","0.0007","90","","90","","90","","198","0.07","295","2","295","2","","","860000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0737","0.0619","","","0.0847","0.0883","","","","","","1.332","","","","has coordinates","231383","2020-10-21","18:00:00",""
"4516575","9.307","0.009","5.706","0.006","3.623","0.003","90","","90","","90","","192.4","0.3","295","2","295","2","","","1080000","","","","","3","P m n n","-P 2n 2","58","pyrazine","pyrazine phase III","","- C4 H4 N2 -","- C4 H4 N2 -","- C8 H8 N4 -","2","0.25","","Patyk, Ewa; Podsiadło, Marcin; Katrusiak, Andrzej","Discrete CH···N Bonded Patterns Modified by Temperature and Pressure in Four Pyrazine Polymorphs","Crystal Growth & Design","2015","15","12","5670","","10.1021/acs.cgd.5b01475","","","0.71073","MoKα","","0.0368","0.0317","","","0.0587","0.0611","","","","","","1.193","","","","has coordinates","231383","2020-10-21","18:00:00",""
"7005979","10.0632","0.0005","12.1301","0.0007","12.6705","0.0007","90","","90","","90","","1546.66","0.15","173","2","173","2","","","","","","","","4","P m n n","-P 2n 2","58","heptasodium hexaniobate","","","- H62 Na14 Nb12 O68 -","- H48 Na14 Nb12 O68 -","- H48 Na14 Nb12 O68 -","1","0.125","","Anderson, Travis M.; Rodriguez, Mark A.; Bonhomme, François; Bixler, Joel N.; Alam, Todd M.; Nyman, May","An aqueous route to [Ta6O19]8- and solid-state studies of isostructural niobium and tantalum oxide complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","40","4517","4522","10.1039/b707636c","","","0.71069","MoKα","","0.0173","0.0165","","","0.0479","0.0483","","","","","","1.217","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7005980","10.0215","0.0016","12.007","0.002","12.761","0.002","90","","90","","90","","1535.5","0.4","173","2","173","2","","","","","","","","4","P m n n","-P 2n 2","58","octasodium hexatantalate","","","- H30 Na8 O34 Ta6 -","- H16 Na8 O34 Ta6 -","- H32 Na16 O68 Ta12 -","2","0.25","","Anderson, Travis M.; Rodriguez, Mark A.; Bonhomme, François; Bixler, Joel N.; Alam, Todd M.; Nyman, May","An aqueous route to [Ta6O19]8- and solid-state studies of isostructural niobium and tantalum oxide complexes.","Dalton transactions (Cambridge, England : 2003)","2007","","40","4517","4522","10.1039/b707636c","","","0.71073","MoKα","","0.0198","0.0189","","","0.0499","0.0503","","","","","","1.142","","","","has coordinates","287753","2023-11-23","09:34:44",""
"7025411","10.4633","0.0009","15.0491","0.0011","18.7214","0.0015","90","","90","","90","","2947.9","0.4","293","2","293","2","","","","","","","","7","P m n n","-P 2n 2","58","","","","- B4 Cr8 H8 K5 Na11 O70 P12 -","- B4 Cr8 H8 K5 Na11 O70 P12 -","- B8 Cr16 H16 K10 Na22 O140 P24 -","2","0.25","","Liu, Wei; Zhang, Lan; Su, Ge; Cao, Li-Xin; Wang, Yong-Gang","A novel polyoxochromium borophosphate with new 6-membered ring crown-shaped clusters.","Dalton transactions (Cambridge, England : 2003)","2010","39","31","7262","7265","10.1039/c000515k","","","0.71073","MoKα","","0.0746","0.0719","","","0.2004","0.2031","","","","","","1.094","","","","has coordinates","179960","2020-10-21","18:00:00",""
"9000005","3.37","","4.44","","5.39","","90","","90","","90","","80.649","","","","","","","","","","","","Joplin, Missouri, USA","2","P m n n","-P 2n 2","58","","","Marcasite","- Fe S2 -","- Fe S2 -","- Fe2 S4 -","2","0.25","","Buerger, M. J.","The crystal structure of marcasite","American Mineralogist","1931","16","","361","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000692","13.879","","13.835","","9.942","","90","","90","","90","","1909.02","","","","","","","","","","","","","10","P m n n","-P 2n 2","58","","","Semenovite-(Ce)","- Be3 Ca1.3 Ce F2 Fe0.25 H2 Mn0.25 Na3.4 O22 Si7 -","- Be3 Ca1.3 Ce F2 Fe0.25 H2 Mn0.25 Na3.4 O22 Si7 -","- Be12 Ca5.2 Ce4 F8 Fe H8 Mn Na13.6 O88 Si28 -","4","0.5","","Mazzi, F.; Ungaretti, L.; Dal Negro, A.; Petersen, O. V.; Ronsbo, J. G.","The crystal structure of semenovite","American Mineralogist","1979","64","","202","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9009546","10.331","","10.546","","7.426","","90","","90","","90","","809.068","","","","","","","","","","","","","5","P m n n","-P 2n 2","58","","","Imandrite","- Ca1.5 Fe Na6 O18 Si6 -","- Ca1.5 Fe Na6 O18 Si6 -","- Ca3 Fe2 Na12 O36 Si12 -","2","0.25","","Chernitsova, N. M.; Pudovkina, Z. V.; Voronkov, A. A.; Ilyukhin, V. V.; Pyatenko, Y. A.","Imandrite Na12Ca3Fe2[Si6O18]2 - a representative of a new branch in the lovozerite structural family","Doklady Akademii Nauk SSSR","1980","252","","618","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""