# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T21:04:38+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 'Chemistry of Materials') AND volume = 11 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
"2000128","8.368","0.007","11.274","0.01","11.462","0.012","72.4","0.07","89.45","0.08","85.35","0.07","1027.2","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H18 Al3 N3 O16 P4 -","- C3 H18 Al6 N3 O20 P4 -","- C6 H36 Al12 N6 O40 P8 -","2","1","","Vidal, L.; Marichal, C.; Gramlich, V.; Patarin, J.; Gabelica, Z.","Mu-7, a New Layered Aluminophosphate [CH~3~NH~3~]~3~[Al~3~P~4~O~16~] with a 4 × 8 Network: Characterization, Structure, and Possible Crystallization Mechanism","Chemistry of Materials","1999","11","10","2728","2736","10.1021/cm991027o","","","","","","","0.0372","","","0.0372","","","","","","","","","","","has coordinates","178247","2020-10-21","18:00:00",""
"4001641","3.8127","0.0004","15.551","0.001","7.039","0.0005","90","","90","","90","","417.35","0.06","295","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","zirconium palladium silicide","","","- Pd3 Si3 Zr -","- Pd3 Si3 Zr -","- Pd12 Si12 Zr4 -","4","0.25","","Wang, Meitian; Mar, Arthur","The Ternary Silicide ZrPd3Si3, a Stacking Variant of the α-FeSi2and Re3B Structure Types","Chemistry of Materials","1999","11","11","3232","","10.1021/cm990296b","","","0.71073","MoKα","","0.0256","0.0227","","","0.046","0.047","","","","","","1.189","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001894","17.51709","0.0009","17.51709","0.0009","8.198","0.0005","90","","90","","90","","2515.5","0.2","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li36 Mn72 O144 -","36","1.125","","Wills, A. S.; Raju, N. P.; Greedan, J. E.","Low-temperature structure and magnetic properties of the spinel LiMn~2~O~4~: a frustrated antiferromagnet and cathode material","Chemistry of Materials","1999","11","6","1510","1518","10.1021/cm981041l","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001895","17.54019","0.0005","17.54019","0.0005","8.20515","0.00028","90","","90","","90","","2524.38","0.13","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li36 Mn72 O144 -","36","1.125","","Wills, A. S.; Raju, N. P.; Greedan, J. E.","Low-temperature structure and magnetic properties of the spinel LiMn~2~O~4~: a frustrated antiferromagnet and cathode material","Chemistry of Materials","1999","11","6","1510","1518","10.1021/cm981041l","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002827","8.2706","0.0003","6.1998","0.0003","10.525","0.001","90","","103.38","0.01","90","","525.03","0.06","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H6 Al3 F10 N -","- C4.998 H6 Al3 F10 N1.002 -","- C9.996 H12 Al6 F20 N2.004 -","2","0.25","","Harlow, Richard L.; Herron, Norman; Li, Zhigang; Vogt, Thomas; Solovyov, Leonid; Kirik, Sergei","The DuPont Powder Challenge: the crystal structure of [C5NH6][Al3F10] - A cautionary tale","Chemistry of Materials","1999","11","","2562","2567","","powder diffraction","x-ray","0.43788","","","","","","","","","","0.048","","","","","","","","has coordinates","198511","2020-10-21","18:00:00",""
"6000286","10.1405","","10.1496","","21.6599","","90","","90","","90","","2229.28","","","","","","","","","","","","","4","P3c&","","","","","","- Ba5 Cu Ir3 O12 -","","","","","","Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.","Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39","Chemistry of Materials","1999","11","","1551","1558","10.1021/cm9807844","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000287","10.1344","","10.1344","","35.0564","","90","","90","","120","","3118.14","","","","","","","","","","","","","4","P 3 2 1","","","","","","- Ba16 Cu3 Ir10 O39 -","","","","","","Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.","Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39","Chemistry of Materials","1999","11","","1551","1558","10.1021/cm9807844","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000288","11.4612","0.0008","11.4612","0.0008","8.904","0.0008","90","","90","","90","","1169.62","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C4 H8 K O12 Y -","- C4 H8 K O12 Y -","- C16 H32 K4 O48 Y4 -","4","0.25","","Bataille, T.; Auffredic, J. P.; Louer, D.","Ab initio structure determination and dehydration dynamics of YK(C2O4)(2).4H(2)O studied by X-ray powder diffraction","Chemistry of Materials","1999","11","","1559","1567","10.1021/cm981155x","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000318","3.7368","","3.7368","","27.086","","90","","90","","90","","378.23","","","","","","","","","","","","","4","I 4/m m m","","","","","","- Ca4 Fe Mn2 O9.75 -","","","","","","Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.","Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80","Chemistry of Materials","1999","11","","674","683","10.1021/cm9807384","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000319","3.8339","","3.8339","","27.8148","","90","","90","","90","","408.85","","","","","","","","","","","","","4","I 4/m m m","","","","","","- Fe Mn2 O9.8 Sr4 -","","","","","","Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.","Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80","Chemistry of Materials","1999","11","","674","683","10.1021/cm9807384","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000320","3.8128","0.0001","3.8128","0.0001","27.568","0.001","90","","90","","90","","402.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co La2 O10 Ti3 -","- Co La2 O10 Ti3 -","- Co2 La4 O20 Ti6 -","2","0.0625","","Hyeon, K. A.; Byeon, S. H.","Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)","Chemistry of Materials","1999","11","","352","357","10.1021/cm980581f","","","","","","","","","","","","","","","","","","","","","has coordinates","203340","2020-10-21","18:00:00",""
"6000321","3.8248","0.0002","3.8248","0.0002","26.329","0.001","90","","90","","90","","385.17","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cu La2 O10 Ti3 -","- Cu La2 O10 Ti3 -","- Cu2 La4 O20 Ti6 -","2","0.0625","","Hyeon, K. A.; Byeon, S. H.","Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)","Chemistry of Materials","1999","11","","352","357","10.1021/cm980581f","","","","","","","","","","","","","","","","","","","","","has coordinates","203340","2020-10-21","18:00:00",""
"6000322","3.8127","0.0001","3.8127","0.0001","27.5129","0.0009","90","","90","","90","","399.95","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- La2 O10 Ti3 Zn -","- La2 O10 Ti3 Zn -","- La4 O20 Ti6 Zn2 -","2","0.0625","","Hyeon, K. A.; Byeon, S. H.","Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)","Chemistry of Materials","1999","11","","352","357","10.1021/cm980581f","","","","","","","","","","","","","","","","","","","","","has coordinates","203340","2020-10-21","18:00:00",""
"6000323","18.167","","5.085","","8.658","","90","","93.63","","90","","798.21","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C3 H8 O6 P2 Zn -","","","","","","Poojary, D. M.; Zhang, B. L.; Clearfield, A.","Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)","Chemistry of Materials","1999","11","2","421","426","10.1021/cm980641h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000324","20.5853","","5.0472","","18.014","","90","","97.226","","90","","1856.76","","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C6 H18 O14 P4 Zn3 -","","","","","","Poojary, D. M.; Zhang, B. L.; Clearfield, A.","Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)","Chemistry of Materials","1999","11","2","421","426","10.1021/cm980641h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000346","5.4897","","5.5195","","7.1758","","90","","90","","90","","217.43","","","","","","","","","","","","","4","I b a m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000347","5.5166","","5.5166","","7.8134","","90","","90","","90","","237.79","","","","573","","","","","","","","","4","I 4/m c m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000348","3.9061","","3.9061","","3.9061","","90","","90","","90","","59.6","","","","673","","","","","","","","","4","P m -3 m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000735","17.4705","","6.7541","","8.0252","","90","","102.019","","90","","926.2","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- K O12 P3 U2 -","","","","","","Hawkins, H. T.; Spearing, D. R.; Veirs, D. K.; Danis, J. A.; Smith, D. M.; Tait, C. D.; Runde, W. H.; Spilde, M. N.; Scheetz, B. E.","Synthesis and characterization of uranium(IV)-bearing members of the [NZP] structural family","Chemistry of Materials","1999","11","","2851","2857","10.1021/cm990209f","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""