# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-21T00:14:23+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 Alloys Compd.') AND volume = 349 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
"1100129","12.209","0.003","10.085","0.004","8.783","0.004","90","","90.39","0.03","90","","1081.41","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pentasodium Yttrium Tetracarbonate","","- C4 Na5 O12 Y -","- C4 Na5 O12 Y -","- C16 Na20 O48 Y4 -","4","1","","Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O)","Journal of Alloys Compd.","2003","349","1-2","114","120","10.1016/S0925-8388(02)00910-6","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100130","7.593","0.002","7.593","0.002","11.528","0.008","90","","90","","90","","664.63","","","","","","","","","","","","","5","P -4 21 c","P -4 2n","114","","Pentasodium Ytterbium Tetracarbonate Dihydrate","","- C4 H4 Na5 O14 Yb -","- C4 H4 Na5 O14 Yb -","- C8 H8 Na10 O28 Yb2 -","2","0.25","","Awaleh, M.O.; Ben Ali, A.; Maisonneuve, V.; Leblanc, M.","Microwave-assisted synthesis, crystal structures and thermal behaviour of Na5 Y (C O3)4 and Na5 Yb (C O3)4 * 2(H2 O)","Journal of Alloys Compd.","2003","349","1-2","114","120","10.1016/S0925-8388(02)00910-6","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1531244","3.955","","3.955","","13.7015","","90","","90","","90","","214.319","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","","","- Np Si1.72 -","- Np Si1.72 -","- Np4 Si6.88 -","4","0.125","","Boulet, P.; Rebizant, J.; Bouexiere, D.; Wastin, F.","Structural chemistry of the neptunium-silicon binary system","Journal of Alloys Compd.","2003","349","","172","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531246","3.8375","","3.8375","","4.0924","","90","","90","","120","","52.192","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Np Si1.6 -","- Np Si1.6 -","- Np Si1.6 -","1","0.0416667","","Boulet, P.; Rebizant, J.; Bouexiere, D.; Wastin, F.","Structural chemistry of the neptunium-silicon binary system","Journal of Alloys Compd.","2003","349","","172","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531249","7.798","","3.836","","5.6657","","90","","90","","90","","169.479","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Np Si -","- Np Si -","- Np4 Si4 -","4","0.5","","Boulet, P.; Bouexiere, D.; Rebizant, J.; Wastin, F.","Structural chemistry of the neptunium-silicon binary system","Journal of Alloys Compd.","2003","349","","172","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531252","4.229","","12.618","","6.309","","90","","90","","90","","336.658","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Np Si -","- Np Si -","- Np8 Si8 -","8","0.5","","Boulet, P.; Rebizant, J.; Bouexiere, D.; Wastin, F.","Structural chemistry of the neptunium-silicon binary system","Journal of Alloys Compd.","2003","349","","172","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531339","5.333","","5.333","","4.248","","90","","90","","120","","104.631","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","La (Ni3.55 Co0.75 Mn0.4 Al0.3) D4.83","","- Al0.3 Co0.75 D4.83 La Mn0.4 Ni3.55 -","- Al0.3 Co0.75 D4.834 La Mn0.4 Ni3.55 -","- Al0.3 Co0.75 D4.834 La Mn0.4 Ni3.55 -","1","0.0416667","","Georgiev, P.A.; Liu, J.; Ross, D.K.; Otto, A.; Andersen, K.H.","An in situ neutron time-of-flight diffraction study of LaMM (Ni Co Al Mn)5-x battery electrode materials and their deuterides, for x =0 and x = 0.2","Journal of Alloys Compd.","2003","349","","325","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531342","5.339","","5.339","","4.246","","90","","90","","120","","104.817","","","","","","","","","","","","","6","P 6/m m m","-P 6 2","191","","La (Ni3.49 Co0.78 Mn0.42 Al0.31) D4.31","","- Al0.31 Co0.78 D4.31 La Mn0.42 Ni3.49 -","- Al0.31 Co0.78 D4.314 La Mn0.415 Ni3.495 -","- Al0.31 Co0.78 D4.314 La Mn0.415 Ni3.495 -","1","0.0416667","","Georgiev, P.A.; Liu, J.; Ross, D.K.; Andersen, K.H.; Otto, A.","An in situ neutron time-of-flight diffraction study of LaMM (Ni Co Al Mn)5-x battery electrode materials and their deuterides, for x =0 and x = 0.2","Journal of Alloys Compd.","2003","349","","325","333","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531827","5.2183","","5.2183","","5.2183","","90","","90","","90","","142.098","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Ti3 Sb","","- Sb Ti3 -","- Sb Ti3 -","- Sb2 Ti6 -","2","0.0416667","","Melnyk, G.; Tremel, W.","The titanium - iron - antimony ternary system and the crystal and electronic structure of the interstitial compound Ti5 Fe Sb2","Journal of Alloys Compd.","2003","349","","164","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531830","4.1033","","4.1033","","6.2836","","90","","90","","120","","91.623","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Ti Sb","","- Sb Ti -","- Sb Ti -","- Sb2 Ti2 -","2","0.0833333","","Melnyk, G.; Tremel, W.","The titanium - iron - antimony ternary system and the crystal and electronic structure of the interstitial compound Ti5 Fe Sb2","Journal of Alloys Compd.","2003","349","","164","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531832","5.9429","","5.9429","","5.9429","","90","","90","","90","","209.892","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ti0.8 Fe Sb","","- Fe Sb Ti0.8 -","- Fe Sb Ti0.8 -","- Fe4 Sb4 Ti3.2 -","4","0.0416667","","Melnyk, G.; Tremel, W.","The titanium - iron - antimony ternary system and the crystal and electronic structure of the interstitial compound Ti5 Fe Sb2","Journal of Alloys Compd.","2003","349","","164","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531834","6.0182","","6.0182","","6.0182","","90","","90","","90","","217.972","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","Ti1.25 Fe Sb","","- Fe Sb Ti1.25 -","- Fe Sb Ti1.25 -","- Fe4 Sb4 Ti5 -","4","0.0416667","","Melnyk, G.; Tremel, W.","The titanium - iron - antimony ternary system and the crystal and electronic structure of the interstitial compound Ti5 Fe Sb2","Journal of Alloys Compd.","2003","349","","164","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531837","10.4638","","10.4638","","5.2836","","90","","90","","90","","578.507","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ti5 Fe0.45 Sb2.55","","- Fe0.45 Sb2.55 Ti5 -","- Fe0.45 Sb2.55 Ti5 -","- Fe1.8 Sb10.2 Ti20 -","4","0.125","","Melnyk, G.; Tremel, W.","The titanium - iron - antimony ternary system and the crystal and electronic structure of the interstitial compound Ti5 Fe Sb2","Journal of Alloys Compd.","2003","349","","164","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","157417","2020-10-21","18:00:00",""
"1531840","10.4423","","10.4423","","5.2131","","90","","90","","90","","568.445","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ti5 Fe Sb2","","- Fe Sb2 Ti5 -","- Fe Sb2 Ti5 -","- Fe4 Sb8 Ti20 -","4","0.125","","Melnyk, G.; Tremel, W.","The titanium - iron - antimony ternary system and the crystal and electronic structure of the interstitial compound Ti5 Fe Sb2","Journal of Alloys Compd.","2003","349","","164","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531843","4.8213","","4.8213","","7.8432","","90","","90","","120","","157.889","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ti3.28 Fe7.62 Sb1.1","","- Fe7.62 Sb1.1 Ti3.28 -","- Fe7.62 Sb1.1 Ti3.28 -","- Fe7.62 Sb1.1 Ti3.28 -","1","0.0416667","","Melnyk, G.; Tremel, W.","The titanium - iron - antimony ternary system and the crystal and electronic structure of the interstitial compound Ti5 Fe Sb2","Journal of Alloys Compd.","2003","349","","164","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","157423","2020-10-21","18:00:00",""
"1531846","5.2028","","5.2028","","5.2028","","90","","90","","90","","140.835","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","(Ti2.944 Fe0.056) Sb","","- Fe0.056 Sb Ti2.944 -","- Fe0.057 Sb Ti2.943 -","- Fe0.114 Sb2 Ti5.886 -","2","0.0416667","","Melnyk, G.; Tremel, W.","The titanium - iron - antimony ternary system and the crystal and electronic structure of the interstitial compound Ti5 Fe Sb2","Journal of Alloys Compd.","2003","349","","164","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532319","7.305","","7.305","","7.478","","90","","90","","120","","345.586","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","La F3","","- F3 La -","- F3 La -","- F18 La6 -","6","0.5","","Winkler, B.; Knorr, K.; Milman, V.","Prediction of the structure of La F3 at high pressures","Journal of Alloys Compd.","2003","349","","111","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532322","3.769","","3.769","","6.576","","90","","90","","90","","93.414","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","La F3","","- F3 La -","- F3 La -","- F6 La2 -","2","0.0625","","Winkler, B.; Knorr, K.; Milman, V.","Prediction of the structure of La F3 at high pressures","Journal of Alloys Compd.","2003","349","","111","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""