# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T11:59:28+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Materials Chemistry') AND volume = 2 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
"7222955","4.1231","","12.3641","","7.2071","","90","","90","","90","","367.407","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","(U O2) (V O3)","","- O5 U V -","- O5 U V -","- O20 U4 V4 -","4","0.5","","Dickens, P.G.; Stuttard, G.P.; Ball, R.G.J.; Hull, S.; Powell, A.V.; Patat, S.","Powder neutron diffraction study of the mixed uraniumvanadium oxides Cs2(UO2)2(V2O8) and UVO5","Journal of Materials Chemistry","1992","2","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222956","10.521","","8.4369","","7.308","","90","","106.08","","90","","623.312","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Cs2 (U O2)2 (V2 O8)","","- Cs2 O12 U2 V2 -","- Cs2 O12 U2 V2 -","- Cs4 O24 U4 V4 -","2","0.5","","Dickens, P.G.; Stuttard, G.P.; Ball, R.G.J.; Patat, S.; Hull, S.; Powell, A.V.","Powder neutron diffraction study of the mixed uraniumvanadium oxides Cs2(UO2)2(V2O8) and UVO5","Journal of Materials Chemistry","1992","2","","161","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7223685","3.284","","3.284","","7.488","","90","","90","","90","","80.756","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Fe0.88 Sc C2","","- C2 Fe0.88 Sc -","- C2 Fe0.88 Sc -","- C4 Fe1.76 Sc2 -","2","0.125","","Poettgen, R.; Jeitschko, W.; Wortmann, U.; Danebrock, M.E.","Crystal structures and physical properties of the ternary carbides Sc T1-x C2 (T= Fe, Co, Ni)","Journal of Materials Chemistry","1992","2","","633","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7227041","9.366","0.001","9.882","0.001","19.183","0.002","85.406","0.005","85.029","0.005","114.485","0.005","1596.5","0.3","","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H34 N4 O25 P6 Zn5 -","- C12 N4 O25 P6 Zn5 -","- C24 N8 O50 P12 Zn10 -","2","1","","Harrison, William T. A.; Nenoff, Tina M.; Eddy, Michael, M.; Martin, Theresa E.; Stucky, Galen, D.","Organic templates in zincophosphates synthesis : Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings and Zn-N bonds","Journal of Materials Chemistry","1992","2","","1127","1134","10.1039/JM9920201127","","x-ray","0.71073","MoKα","","","0.0711","","","0.0755","","","","","","","","","","","has coordinates","188359","2020-10-21","18:00:00",""
"7227042","11.095","0.002","16.413","0.002","8.263","0.001","90","","90","","90","","1504.7","0.4","","","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 N2 O12 P3 Zn3 -","- C6 N2 O12 P3 Zn3 -","- C24 N8 O48 P12 Zn12 -","4","1","","Harrison, William T. A.; Nenoff, Tina M.; Eddy, Michael, M.; Martin, Theresa E.; Stucky, Galen, D.","Organic templates in zincophosphates synthesis : Zn5(PO4)2(HPO4)4.H2O.2H2N2C6H12, containing two distinct eight-ring channels and Zn3(PO4)(HPO4)2.HN2C6H12, containing tetrahedral three-rings and Zn-N bonds","Journal of Materials Chemistry","1992","2","","1127","1134","10.1039/JM9920201127","","x-ray","0.71073","MoKα","","","0.0571","","","0.0589","","","","","","","","","","","has coordinates","189831","2020-10-21","18:00:00",""
"7227610","12.9695","0.0008","10.6898","0.0007","6.4932","0.0004","90","","90","","90","","900.23","0.1","","","293","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- As0.5 K O5 P0.5 Ti -","- As0.5 K O5 P0.5 Ti -","- As4 K8 O40 P4 Ti8 -","8","2","","Crennell, Susan J.; Cheetham, Anthony K; Jarman, Richard H.; Thrash, Robert J.; Kaduk, James A.","Isomorphous substitution in non-linear optical KTiOPO4: neutron powder diffraction study of KTiO(P0.5As0.5)O4","Journal of Materials Chemistry","1992","2","","383","386","10.1039/JM9920200383","powder diffraction","neutron","","ToF","","","","","","","","","","","","","","","","","has coordinates","191182","2020-10-21","18:00:00",""
"7227625","13.2382","0.0004","10.7083","0.0003","6.5581","0.0002","90","","90","","90","","929.67","0.05","","","293","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- K0.5 O5 P Rb0.5 Sn -","- K0.5 O5 P Rb0.5 Sn -","- K4 O40 P8 Rb4 Sn8 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.0666","","","","","","","","","has coordinates","191788","2020-10-21","18:00:00",""
"7227626","12.8826","0.0004","10.6384","0.0004","6.3898","0.0002","90","","90","","90","","875.72","0.05","","","293","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- K0.5 Na0.5 O5 P Sn0.5 Ti0.5 -","- K0.5 Na0.5 O5 P Sn0.5 Ti0.5 -","- K4 Na4 O40 P8 Sn4 Ti4 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.078","","","","","","","","","has coordinates","191789","2020-10-21","18:00:00",""
"7227627","13.1435","0.0005","10.6433","0.0003","6.5478","0.0003","90","","90","","90","","915.97","0.06","","","293","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- Na0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- Na0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- Na4 O40 P8 Rb4 Sn4 Ti4 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.1155","","","","","","","","","has coordinates","191790","2020-10-21","18:00:00",""
"7227628","13.044","0.0005","10.6304","0.0004","6.4961","0.0003","90","","90","","90","","900.77","0.06","","","293","","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- K0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- K0.5 O5 P Rb0.5 Sn0.5 Ti0.5 -","- K4 O40 P8 Rb4 Sn4 Ti4 -","8","2","","Crennel, Susan J.; Cheetham, Anthony K.; Kaduk, James, A.; Jarman, Richard H.","Isomorphous substitution in non-linear optical KTiOPO4: powder diffraction studies of K0.5Rb0.5SnOPO4, K0.5Na0.5Ti0.5Sn0.5OPO4, Na0.5Rb0.5Ti0.5Sn0.5OPO4 and K0.5Rb0.5Ti0.5Sn0.5OPO4","Journal of Materials Chemistry","1992","2","","785","792","10.1039/JM9920200785","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.0747","","","","","","","","","has coordinates","191791","2020-10-21","18:00:00",""
"7229074","6.7101","0.0003","7.3152","0.0003","7.1746","0.0003","90","","112.372","0.002","90","","325.66","0.02","","","4","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- D2 Mn O5 P -","- D2 Mn O5 P -","- D8 Mn4 O20 P4 -","4","0.5","","Miguel A. G. Aranda; J. Paul Attfield; Sebastian Bruque; Fernando Palacio","Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight neutron powder diffraction data","Journal of Materials Chemistry","1992","2","","501","505","10.1039/JM9920200501","powder diffraction","neutron","","time-of-flight","","","","","","","","","","","","","","","","","has coordinates","200211","2020-10-21","18:00:00",""
"7229075","6.8707","0.0003","7.6958","0.0003","7.3121","0.0003","90","","112.221","0.002","90","","357.92","0.03","","","4","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As D2 Mn O5 -","- As D2 Mn O5 -","- As4 D8 Mn4 O20 -","4","0.5","","Miguel A. G. Aranda; J. Paul Attfield; Sebastian Bruque; Fernando Palacio","Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight neutron powder diffraction data","Journal of Materials Chemistry","1992","2","","501","505","10.1039/JM9920200501","powder diffraction","neutron","","time-of-flight","","","","","","","","","","","","","","","","","has coordinates","200212","2020-10-21","18:00:00",""
"9017502","6.0186","","4.7768","","10.4192","","90","","90.952","","90","","299.507","","","","59.7","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Sarcopside","- Fe3 O8 P2 -","- Fe6 O16 P4 -","- Fe6 O16 P4 -","","","","Warner, J. K.; Cheetham, A. K.; Nord, A. G.; Von Dreele, R. B.; Yethiraj, M.","Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2 Sample: FE3(PO4)2 Note: T = 59.7 K","Journal of Materials Chemistry","1992","2","","191","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""
"9017503","6.01037","","4.7727","","10.4052","","90","","90.944","","90","","298.44","","","","10.1","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","Sarcopside","- Fe3 O8 P2 -","- Fe6 O16 P4 -","- Fe6 O16 P4 -","","","","Warner, J. K.; Cheetham, A. K.; Nord, A. G.; Von Dreele, R. B.; Yethiraj, M.","Magnetic structure of iron(II) phosphate, sarcopside, Fe3(PO4)2 Sample: FE3(PO4)2 Note: T = 10.1 K","Journal of Materials Chemistry","1992","2","","191","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:59:03",""