# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-04-01T10:54:44+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m 21 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
"1529613","9.89","","5.784","","5.036","","90","","90","","90","","288.078","","","","","","","","","","","","","4","P m 21 n","P -2ab -2","31","","Cd3 (Ge O4) (O H)2","","- Cd3 Ge H2 O6 -","- Cd3 Ge O6 -","- Cd6 Ge2 O12 -","2","0.5","","Belokoneva, E.L.; Belov, N.B.; Simonov, M.A.","The crystal structure of cadmium hydroxy germanate Cd3 (Ge O4) (O H)2","Doklady Akademii Nauk SSSR","1972","207","","850","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539721","14.011","","12.919","","5.853","","90","","90","","90","","1059.44","","","","","","","","","","","","","4","P m 21 n","P -2ab -2","31","","K6 Lu2 (Si6 O18)","","- K6 Lu2 O18 Si6 -","- K6 Lu2 O18 Si6 -","- K12 Lu4 O36 Si12 -","2","0.5","","Filipenko, O.S.; Ponomarev, V.I.; Dimitrova, O.V.; Atovmyan, L.O.","Hydrothermal synthesis and crystal structure of K6 Lu2 (Si6 O18)","Kristallografiya","1988","33","","1122","1127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540088","7.608","","7.767","","12.272","","90","","90","","90","","725.169","","","","","","","","","","","","","3","P m 21 n","P -2ab -2","31","","K (Fe F4)","","- F4 Fe K -","- F4 Fe K -","- F32 Fe8 K8 -","8","2","","Hidaka, M.; Zhou, Z.-Y.; Wanklyn, B.M.","Structural phase transitions of layer compounds K Fe F4, K TI F4, and K V F4","Physica Status Solidi, Sectio A: Applied Research","1989","115","","149","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542249","4.856","","10.68","","4.368","","90","","90","","90","","226.534","","","","","","","","","","","","","4","P m 21 n","P -2ab -2","31","","Na Np O2 (C O3)","","- C Na Np O5 -","- C Na Np O5 -","- C2 Na2 Np2 O10 -","2","0.5","","Volkov, Yu.F.; Tomilin, S.V.; Visyashcheva, G.I.; Kapshukov, I.I.","Study of Carbonate Compounds of Pentavalent Actinides with Alkali Metal Cations. VI. X-ray Structure Investigation of the Compounds Li Np O2 C O3 and Na Np O2 C O3","Radiokhimiya","1979","21","","668","672","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1568994","8.7336","0.0008","9.84","0.0008","13.8013","0.001","90","","90","","90","","1186.06","0.17","325","","325","","","","","","","","","5","P m 21 n","P -2ab -2","31","","","","- C8 H22 Br8 N2 Te -","- C7.5 H22 Br8 N2 Te -","- C15 H44 Br16 N4 Te2 -","2","0.5","","Zhao, Bing-Qing; Chen, Xiao-Xian; Ye, Hui; Gong, Ya-Ping; Wang, Jun; Ye, Le; Zhang, Wei-Xiong","An anomalous ferroelastic phase transition arising from an unusual <i>cis</i>-/<i>anti</i>-conformational reversal of polar organic cations.","Chemical science","2023","14","22","5965","5973","10.1039/d3sc01101a","","","1.34138","GaKα","","0.115","0.0823","","","0.245","0.2933","","","","","","0.993","","","","has coordinates,has disorder","284890","2023-07-05","09:39:42",""
"4030819","3.328","0.0003","5.803","0.001","35.83","0.004","90","","90","","90","","691.96","0.16","","","293","","","","","","","","","3","P m 21 n","P -2ab -2","31","","","","- La0.809 Nb2.506 S5 -","- La0.9 Nb2.8 S5.3 -","- La3.6 Nb11.2 S21.2 -","4","1","","Meerschaut, A.; David, T.; Moelo, Y.; Rouxel, J.","Structural study of a commensurate composite niobium lanthanum sulfide compound","European Journal of Solid State and Inorganic Chemistry","1996","33","","551","561","","","x-ray","0.71073","MoKα","","","0.178","","","0.204","","","","","","","","","","","has coordinates","178487","2020-10-21","18:00:00",""
"4501292","16.55518","0.0002","5.52088","0.00007","8.88587","0.00008","90","","90","","90","","812.161","0.016","298","","298","","","","","","","","","3","P m 21 n","P -2ab -2","31","","","","- La6 O18 W3 -","- La6 O18 W3 -","- La12 O36 W6 -","2","0.5","","Allix, Mathieu; Chambrier, Marie-Hélène; Véron, Emmanuel; Porcher, Florence; Suchomel, Matthew; Goutenoire, François","Synthesis and Structure Determination of the High Temperature Form of La2WO6","Crystal Growth & Design","2011","11","11","5105","","10.1021/cg201010y","powder diffraction","neutron","1.2254","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.7302","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510697","8.8708","0.001","9.754","0.001","5.3493","0.001","90","","90","","90","","462.85","0.11","220","2","220","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0337","0.0327","","","0.0833","0.0844","","","","","","1.064","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510698","8.8779","0.0008","9.7606","0.0011","5.3422","0.0005","90","","90","","90","","462.92","0.08","222.5","0.2","222.5","0.2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0342","0.0332","","","0.0944","0.0957","","","","","","1.01","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510699","8.783","0.0009","9.7595","0.0012","5.3416","0.0006","90","","90","","90","","457.87","0.09","225","2","225","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0339","0.0326","","","0.0866","0.0881","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510700","8.7856","0.0009","9.7596","0.0013","5.3418","0.0006","90","","90","","90","","458.03","0.09","227.5","0.2","227.5","0.2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0345","0.0336","","","0.0876","0.0883","","","","","","1.083","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510701","8.7889","0.0009","9.7596","0.0012","5.3418","0.0006","90","","90","","90","","458.2","0.09","230","2","230","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0349","0.0339","","","0.0904","0.0913","","","","","","1.072","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510702","8.8206","0.0009","9.7598","0.0013","5.344","0.0006","90","","90","","90","","460.05","0.09","253","2","253","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0332","0.0324","","","0.0882","0.0892","","","","","","1.084","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510703","8.874","0.0009","9.757","0.0013","5.3488","0.0006","90","","90","","90","","463.12","0.09","295","2","295","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0366","0.0361","","","0.1011","0.1017","","","","","","1.065","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510705","8.771","0.003","9.673","0.003","5.3402","0.0012","90","","90","","90","","453.1","0.2","296","2","296","2","200000","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H12 Cl N2 O4 -","- C12 H24 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0966","0.0727","","","0.1694","0.1834","","","","","","1.058","","","","has coordinates","179654","2020-10-21","18:00:00",""