# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T21:31:22+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m n m :1' 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
"1010309","3.75","","7.95","","3.3","","90","","90","","90","","98.4","","","","","","","","","","","","","3","P m n m :1","P 2ac 2ac -1ac","59","","Iron(III) oxide chloride","","- Cl Fe O -","- Cl Fe O -","- Cl2 Fe2 O2 -","2","0.25","","Goldsztaub, M S","Structure cristalline de l'oxychlorure de fer.","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965)","1934","198","","667","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010645","3.75","","7.65","","3.3","","90","","90","","90","","94.7","","","","","","","","","","","","","3","P m n m :1","P 2ac 2ac -1ac","59","","Iron(III) oxide chloride","","- Cl Fe O -","- Cl Fe O -","- Cl2 Fe2 O2 -","2","0.25","","Goldsztaub, M S","Etude de quelques derives de l'oxyde ferrique (Fe O.OH, FeO^2^Na, FeOCl) determination de leurs structures.","Bulletin de la Societe Francaise de Mineralogie (-71,1948)","1935","58","","6","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1525051","3.781","","7.893","","3.293","","90","","90","","90","","98.274","","","","","","","","","","","","","4","P m n m :1","P 2ac 2ac -1ac","59","","Li0.5 Fe O Cl","","- Cl Fe Li0.5 O -","- Cl Fe Li0.5 O -","- Cl2 Fe2 Li O2 -","2","0.25","","Palvadeau, P.; Coic, L.; Rouxel, J.; Portier, J.","The lithium and molecular intercalates of Fe O Cl","Materials Research Bulletin","1978","13","","221","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528314","12.2728","","7.0857","","6.4817","","90","","90","","90","","563.658","","","","","","","","","","","","","2","P m n m :1","P 2ac 2ac -1ac","59","","Ti I3","","- I3 Ti -","- I3 Ti -","- I12 Ti4 -","4","0.5","","Angelkort, J.; Schoenleber, A.; van Smaalen, S.","Low- and high-temperature crystal structure of Ti I3","Journal of Solid State Chemistry","2009","182","","525","531","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2002202","11.313","","4.804","","3.613","","90","","90","","90","","196.4","","","","","","","","","","","","","3","P m n m :1","P 2ac 2ac -1ac","59","","Copper vanadium oxide (0.6/2/5)","","- Cu0.64 O5 V2 -","- Cu0.64 O5 V2 -","- Cu1.28 O10 V4 -","2","0.25","","Christian, H P; Mueller-Buschbaum, Hk","Untersuchung einer kupfereichen Phase Cu0.64 V2 O5","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1974","29","","713","715","","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"4003886","4.4815","0.0003","21.6649","0.0016","4.522","0.0003","90","","90","","90","","439.05","0.05","293","","293","","","","","","","","","4","P m n m :1","P 2ac 2ac -1ac","59","","","","- K La Mn0.65 Te4 -","- K La Mn0.65 Te4 -","- K2 La2 Mn1.3 Te8 -","2","0.25","","Bao, Jin-Ke; Malliakas, Christos D.; Zhang, Chi; Cai, Songting; Chen, Haijie; Rettie, Alexander J. E.; Fisher, Brandon L.; Chung, Duck Young; Dravid, Vinayak P.; Kanatzidis, Mercouri G.","Quasi-Two-Dimensional Heterostructures (KM1 ‒ xTe)(LaTe3) (M = Mn and Zn) with Charge Density Waves","Chemistry of Materials","2021","33","6","2155","2164","10.1021/acs.chemmater.0c04923","","x-ray","0.71075","MoKα","","0.0728","0.0535","","","0.1317","0.1341","","","","4.09","4.09","3.22","","","","has coordinates","263596","2021-04-04","10:01:10",""
"9009345","5.17","","9.217","","7.058","","90","","90","","90","","336.327","","","","","","","","","","","","","4","P m n m :1","P 2ac 2ac -1ac","59","","","Burkeite","- C0.61 Na3 O3.5 S0.89 -","- C0.61 Na3 O3.5 S0.89 -","- C4.88 Na24 O28 S7.12 -","8","1","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of synthetic burkeite Na4SO4(CO3)t(SO4)1-t Sample A Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Locality: synthetic","Neues Jahrbuch fur Mineralogie, Monatshefte","1988","1988","","203","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9009346","5.177","","9.224","","7.066","","90","","90","","90","","337.42","","","","","","","","","","","","","4","P m n m :1","P 2ac 2ac -1ac","59","","","Burkeite","- C0.55 Na3 O3.5 S0.95 -","- C0.55 Na3 O3.5 S0.95 -","- C4.4 Na24 O28 S7.6 -","8","1","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of synthetic burkeite Sample B Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Locality: synthetic","Neues Jahrbuch fur Mineralogie, Monatshefte","1988","1988","","203","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009347","5.198","","9.255","","7.085","","90","","90","","90","","340.842","","","","","","","","","","","","","4","P m n m :1","P 2ac 2ac -1ac","59","","","Burkeite","- C0.49 Na3 O3.5 S1.01 -","- C0.49 Na3 O3.5 S1.01 -","- C3.92 Na24 O28 S8.08 -","8","1","","Giuseppetti, G.; Mazzi, F.; Tadini, C.","The crystal structure of synthetic burkeite Sample C Note sign of y-coordinate for O3 and O5 altered to reproduce reported bond lengths Locality: synthetic","Neues Jahrbuch fur Mineralogie, Monatshefte","1988","1988","","203","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""