# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T08:46:07+01:00
# 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 'Zeitschrift fuer Kristallographie (149,1979-)') AND volume = 221 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
"8103690","3.482","","5.262","","10.432","","90","","93.08","","90","","190.862","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na2 C2 O4","","- C2 Na2 O4 -","- C2 Na2 O4 -","- C4 Na4 O8 -","2","0.5","","Boldyreva, E.V.; Ahsbahs, H.; Chernyshev, V.V.; Ivashevskaya, S.N.; Oganov, A.R.","Effect of hydrostatic pressure on the crystal structure of sodium oxalate: x-ray diffraction study and ab initio simulations","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","186","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","150500","2020-10-21","18:00:00",""
"8103695","5.5353","","6.0866","","7.7686","","85.641","","89.774","","82.509","","258.744","","","","","","","","","","","","","4","P -1","-P 1","2","","(U O2)2 (C2 O4) (O H)2 (H2 O)2","","- C2 H6 O12 U2 -","- C2 H6 O12 U2 -","- C2 H6 O12 U2 -","1","0.5","","Giesting, O.A.; Porter, N.J.; Burns, P.C.","Uranyl oxalate hydrates: structures and IR spectra","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","252","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","150908","2020-10-21","18:00:00",""
"8103696","5.5921","","16.9931","","9.3594","","90","","99.533","","90","","877.115","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(U O2) (C2 O4) (H2 O)3","","- C2 H6 O9 U -","- C2 H6 O9 U -","- C8 H24 O36 U4 -","4","1","","Giesting, O.A.; Burns, P.C.; Porter, N.J.","Uranyl oxalate hydrates: structures and IR spectra","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","252","269","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103699","6.8837","","6.8837","","11.5867","","90","","90","","90","","549.04","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La1.8 Eu0.2 Ba Zn O5","","- Ba Eu0.2 La1.8 O5 Zn -","- Ba Eu0.2 La1.8 O5 Zn -","- Ba4 Eu0.8 La7.2 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Bucio, L.; Ibarra-Palos, A.; Villafuerte-Castrejon, M.E.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103700","6.8315","","6.8315","","11.5637","","90","","90","","90","","539.671","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La1.4 Eu0.6 Ba Zn O5","","- Ba Eu0.6 La1.4 O5 Zn -","- Ba Eu0.6 La1.4 O5 Zn -","- Ba4 Eu2.4 La5.6 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Bucio, L.; Villafuerte-Castrejon, M.E.; Ibarra-Palos, A.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103701","6.804","","6.804","","11.5524","","90","","90","","90","","534.812","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La1.2 Eu0.8 Ba Zn O5","","- Ba Eu0.8 La1.2 O5 Zn -","- Ba Eu0.8 La1.2 O5 Zn -","- Ba4 Eu3.2 La4.8 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Bucio, L.; Ibarra-Palos, A.; Villafuerte-Castrejon, M.E.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103702","6.7789","","6.7789","","11.5416","","90","","90","","90","","530.377","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La Eu Ba Zn O5","","- Ba Eu La O5 Zn -","- Ba Eu La O5 Zn -","- Ba4 Eu4 La4 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Villafuerte-Castrejon, M.E.; Ibarra-Palos, A.; Bucio, L.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103703","6.7534","","6.7534","","11.5288","","90","","90","","90","","525.81","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La0.8 Eu1.2 Ba Zn O5","","- Ba Eu1.2 La0.8 O5 Zn -","- Ba Eu1.2 La0.8 O5 Zn -","- Ba4 Eu4.8 La3.2 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Ibarra-Palos, A.; Bucio, L.; Villafuerte-Castrejon, M.E.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103704","6.7271","","6.7271","","11.5238","","90","","90","","90","","521.497","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","La0.6 Eu1.4 Ba Zn O5","","- Ba Eu1.4 La0.6 O5 Zn -","- Ba Eu1.4 La0.6 O5 Zn -","- Ba4 Eu5.6 La2.4 O20 Zn4 -","4","0.125","","Hernandez-Perez, A.; Bucio, L.; Ibarra-Palos, A.; Villafuerte-Castrejon, M.E.","Crystal chemistry study of the solid solutions in the system La2 Ba Zn O5-Eu2 Ba Zn O5","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","246","251","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8103711","13.759","","4.1684","","14.683","","90","","115.61","","90","","759.383","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Cu1.78 Bi4.73 Se8","","- Bi4.73 Cu1.78 Se8 -","- Bi4.764 Cu1.74 Se8 -","- Bi9.528 Cu3.48 Se16 -","2","0.25","","Makovicky, E.; Sotofte, I.; Karup-Moller, S.","The crystal structure of Cu1.78 Bi4.73 Se8, an N = 3 pavonite homologue with a Cu-for-Bi substitution","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","122","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","151307","2020-10-21","18:00:00",""
"8103953","19.851","","12.24424","","9.52367","","90","","97.289","","90","","2296.12","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Bi6 Rh12 O29","","- Bi6 O29 Rh12 -","- Bi6 O29 Rh12 -","- Bi24 O116 Rh48 -","4","0.5","","Stowasser, F.; Renkenberger, C.","Ab initio crystal structure determination of Bi6 Rh12 O29 from powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","206","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","162460","2020-10-21","18:00:00",""
"8104019","6.7547","","8.316","","4.8769","","90","","113.179","","90","","251.832","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Mn H P2 O7","","- H Mn O7 P2 -","- Mn O7 P2 -","- Mn2 O14 P4 -","2","1","","Ivashkevich, L.S.; Selevich, K.A.; Lyakhov, A.S.; Lesnikovich, A.I.; Selevich, A.F.","Two isostructural manganese(III) diphosphates, acid alpha-Mn H P2 O7 and double Mn Li P2 O7: crystal structure determination from x-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"8104020","7.0018","","8.1616","","4.7267","","90","","109.404","","90","","254.769","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Li Mn P2 O7","","- Li Mn O7 P2 -","- Li Mn O7 P2 -","- Li2 Mn2 O14 P4 -","2","1","","Ivashkevich, L.S.; Selevich, K.A.; Lesnikovich, A.I.; Selevich, A.F.; Lyakhov, A.S.","Two isostructural manganese(III) diphosphates, acid alpha-Mn H P2 O7 and double Mn Li P2 O7: crystal structure determination from x-ray powder diffraction data","Zeitschrift fuer Kristallographie (149,1979-)","2006","221","","115","121","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""