# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T06:15:26+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 21/c 1 (2*a+c,b,c)' 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
"1537595","13.093","","8.275","","8.974","","90","","104.94","","90","","939.417","","","","","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","Ni2 (P2 O7)","","- Ni2 O7 P2 -","- Ni2 O7 P2 -","- Ni16 O56 P16 -","8","","","Lukaszewicz, K.","Crystal structure of alpha-Ni2 P2 O7","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1967","15","","47","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","165868","2020-10-21","18:00:00",""
"1542047","13.172","","8.29","","9.053","","90","","105.18","","90","","954.058","","","","","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","Mg2 (P2 O7)","","- Mg2 O7 P2 -","- Mg2 O7 P2 -","- Mg16 O56 P16 -","8","","","Lukaszewicz, K.","Crystal structure of alpha-Mg2 P2 O7 and the mechanism of the phase transition beta-alpha-Mg2 P2 O7","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1967","15","","53","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","173974","2020-10-21","18:00:00",""
"1573719","13.146361","","8.262589","","8.977835","","90","","104.96","","90","","942.147","","","","","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","Ni2P2O7","","","- Ni2 O7 P2 -","- Ni2 O7 P2 -","- Ni16 O56 P16 -","8","","","Patil, Satyajeet S.; Patil, Akhilesh P.; Redekar, Rahul S.; Pawar, Shweta M.; Tarwal, Nilesh L.; Patil, Pramod S.","Study of 2D layered nickel pyrophosphate using 3D Bode mapping and stability forecasting for supercapacitors","Colloids and Surfaces A: Physicochemical and Engineering","2025","707","","135829","","10.1016/j.colsurfa.2024.135829","","","","","","","","","","","","","","","","","","","","","has coordinates","297381","2025-01-19","12:39:12",""
"2107405","13.248","","8.345","","9.004","","90","","104.6","","90","","963.29","","","","","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","Co2 (P2 O7)","","- Co2 O7 P2 -","- Co2 O7 P2 -","- Co16 O56 P16 -","8","","","Krishnamachari, N.; Calvo, C.","The crystal structure of cobalt diphosphate","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2883","2885","","","","","","","","","","","","","","","","","","","","","","has coordinates","173954","2020-10-21","18:00:00",""
"7059153","11.3341","0.0012","21.512","0.002","19.3534","0.0018","90","","95.525","0.008","90","","4696.8","0.8","16","2","16","2","","","","","","","","6","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","tris(2-Picolylamine)-iron(ii) chloride ethanol 2-propanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol 2-propanol solvate","","- C20.25 H30.5 Cl2 Fe N6 O -","- C20.256 H30.512 Cl2 Fe N6 O -","- C162.048 H244.096 Cl16 Fe8 N48 O8 -","8","","","Chernyshov, Dmitry; Vangdal, Brita; Törnroos, Karl Wilhelm; Bürgi, Hans-Beat","Chemical disorder and spin crossover in a mixed ethanol‒2-propanol solvate of FeII tris(2-picolylamine) dichloride","New Journal of Chemistry","2009","33","6","1277","","10.1039/b823514g","","","0.71058","synchrotron","","0.032","0.0291","","","0.0681","0.0697","","","","","","1.066","","","","has coordinates,has disorder","244080","2020-10-21","18:00:00",""
"7059154","11.3823","0.0015","21.839","0.002","19.462","0.002","90","","93.688","0.011","90","","4827.8","0.9","16","2","16","2","","","","","","","","6","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","tris(2-Picolylamine)-iron(ii) chloride ethanol 2-propanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol 2-propanol solvate","","- C20.25 H30.5 Cl2 Fe N6 O -","- C20.261 H30.522 Cl2 Fe N6 O -","- C162.088 H244.176 Cl16 Fe8 N48 O8 -","8","","","Chernyshov, Dmitry; Vangdal, Brita; Törnroos, Karl Wilhelm; Bürgi, Hans-Beat","Chemical disorder and spin crossover in a mixed ethanol‒2-propanol solvate of FeII tris(2-picolylamine) dichloride","New Journal of Chemistry","2009","33","6","1277","","10.1039/b823514g","","","0.71058","synchrotron","","0.0356","0.0319","","","0.0794","0.0828","","","","","","1.059","","","","has coordinates,has disorder","244080","2020-10-21","18:00:00",""
"7059155","11.3976","0.0014","21.667","0.002","19.454","0.002","90","","95.54","0.01","90","","4781.8","0.9","118","2","118","2","","","","","","","","6","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","tris(2-Picolylamine)-iron(ii) chloride ethanol 2-propanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol 2-propanol solvate","","- C20.25 H30.5 Cl2 Fe N6 O -","- C20.26 H30.52 Cl2 Fe N6 O -","- C162.08 H244.16 Cl16 Fe8 N48 O8 -","8","","","Chernyshov, Dmitry; Vangdal, Brita; Törnroos, Karl Wilhelm; Bürgi, Hans-Beat","Chemical disorder and spin crossover in a mixed ethanol‒2-propanol solvate of FeII tris(2-picolylamine) dichloride","New Journal of Chemistry","2009","33","6","1277","","10.1039/b823514g","","","0.71058","synchrotron","","0.0363","0.0312","","","0.0716","0.0739","","","","","","1.057","","","","has coordinates,has disorder","244080","2020-10-21","18:00:00",""
"7059156","11.4808","0.0008","21.93","0.0012","19.6473","0.0011","90","","94.923","0.005","90","","4928.4","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","tris(2-Picolylamine)-iron(ii) chloride ethanol 2-propanol solvate","tris(2-Picolylamine)-iron(ii) chloride ethanol 2-propanol solvate","","- C20.25 H30.5 Cl2 Fe N6 O -","- C20.26 H30.52 Cl2 Fe N6 O -","- C162.08 H244.16 Cl16 Fe8 N48 O8 -","8","","","Chernyshov, Dmitry; Vangdal, Brita; Törnroos, Karl Wilhelm; Bürgi, Hans-Beat","Chemical disorder and spin crossover in a mixed ethanol‒2-propanol solvate of FeII tris(2-picolylamine) dichloride","New Journal of Chemistry","2009","33","6","1277","","10.1039/b823514g","","","0.71058","synchrotron","","0.039","0.0309","","","0.0675","0.0714","","","","","","1.028","","","","has coordinates,has disorder","244080","2020-10-21","18:00:00",""
"7701112","42.983","0.017","7.66","0.003","26.502","0.012","90","","90.14","0.04","90","","8726","6","183","2","183","2","","","","","","","","5","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","","","- C3 H15 Bi2 Cl9 N6 -","- C3 H15 Bi2 Cl9 N6 -","- C48 H240 Bi32 Cl144 N96 -","16","","","Mencel, K.; Starynowicz, P.; Siczek, M.; Piecha-Bisiorek, A; Jakubas, R.; Medycki, W.","Symmetry breaking structural phase transitions, dielectric properties and molecular motions of formamidinium cations in 1D and 2D hybrid compounds: (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Cl<sub>9</sub>] and (NH<sub>2</sub>CHNH<sub>2</sub>)<sub>3</sub>[Bi<sub>2</sub>Br<sub>9</sub>].","Dalton transactions (Cambridge, England : 2003)","2019","48","39","14829","14838","10.1039/c9dt02916h","","","0.71073","MoKα","","0.1048","0.0562","","","0.119","0.1315","","","","","","0.876","","","","has coordinates,has disorder","224042","2020-10-21","18:00:00",""
"7703174","13.298","0.005","8.437","0.0032","8.9932","0.0032","90","","104.246","0.012","90","","978","0.6","298","","298","","","","","","","","","3","P 1 21/c 1 (2*a+c,b,c)","-P 2ybc (1/2*x,y,-1/2*x+z)","14","","iron(II) pyprophosphate","","- Fe2 O7 P2 -","- Fe2 O7 P2 -","- Fe16 O56 P16 -","8","","","Salcedo, Inés R; Bazaga-García, Montse; Cuesta, Ana; Losilla, Enrique R.; Demadis, Konstantinos D.; Olivera-Pastor, Pascual; Colodrero, Rosario M. P.; Cabeza, Aurelio","NH<sub>3</sub>/H<sub>2</sub>O-mediated proton conductivity and photocatalytic behaviour of Fe(ii)-hydroxyphosphonoacetate and M(ii)-substituted derivatives.","Dalton transactions (Cambridge, England : 2003)","2020","49","13","3981","3988","10.1039/c9dt04210e","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.01844","","1.57","","","","","","","has coordinates","250291","2020-10-21","18:00:00",""