# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-29T04:59:52+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 'Journal of Alloys Compd.') AND volume = 361 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
"1510704","4.2473","","11.056","","14.7572","","90","","90","","90","","692.971","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Ba3 (B N2)2","","- B2 Ba3 N4 -","- B2 Ba3 N4 -","- B8 Ba12 N16 -","4","1","","Reckeweg, O.; DiSalvo, F.J.; Somer, M.","Orthorhombic Ba3 (B N2)2: a new structure type for an alkaline earth metal nitrido borate","Journal of Alloys Compd.","2003","361","","102","107","10.1016/S0925-8388(03)00455-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1532676","5.7464","","5.7464","","5.7464","","90","","90","","90","","189.753","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Cu1.78 Se -","- Cu1.776 Se -","- Cu7.104 Se4 -","4","0.0208333","","Danilkin, S.A.; Skomorokhov, A.N.; Rajevac, V.; Hoser, A.; Fuess, H.; Bickulova, N.N.","Crystal structure and lattice dynamics of superionic copper selenide Cu2-d Se","Journal of Alloys Compd.","2003","361","","57","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532690","9.917","","9.917","","9.917","","90","","90","","90","","975.306","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","K7.33 Fe10 (P O4)12 O0.66","","- Fe10 K7.33 O48.66 P12 -","- Fe10.004 K7.332 O48.668 P12 -","- Fe10.004 K7.332 O48.668 P12 -","1","0.0833333","","Lajmi, B.; Hidouri, M.; Wattiaux, A.; Fournes, L.; Darriet, J.; Ben Amara, M.","Crystal structure, Mossbauer spectroscopy and magnetic properties of a new potassium iron oxyphosphate K11 Fe15 (P O4)18 O related to the langbeinite-like compounds","Journal of Alloys Compd.","2003","361","","77","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","158646","2020-10-21","18:00:00",""
"1532730","12.45274","","12.45274","","12.45274","","90","","90","","90","","1931.06","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zr4 Pd2 O","","- O Pd2 Zr4 -","- O Pd2 Zr4 -","- O16 Pd32 Zr64 -","16","0.0833333","","Brinks, H.W.; Maeland, A.J.; Hauback, B.C.; Bowman, R.C.jr.; Cantrell, J.S.","Determination of deuterium site occupation in Zr4 Pd2 O D4.5","Journal of Alloys Compd.","2003","361","","108","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532733","12.806","","12.806","","12.806","","90","","90","","90","","2100.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Zr4 Pd2 O D4.455","","- D4.455 O Pd2 Zr4 -","- D4.451 O Pd2 Zr4 -","- D71.216 O16 Pd32 Zr64 -","16","0.0833333","","Brinks, H.W.; Maeland, A.J.; Hauback, B.C.; Bowman, R.C.jr.; Cantrell, J.S.","Determination of deuterium site occupation in Zr4 Pd2 O D4.5","Journal of Alloys Compd.","2003","361","","108","112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533140","3.9883","","10.504","","7.953","","90","","98.571","","90","","329.455","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(N H4) (H (V O) (Se O3)2)","","- H5 N O7 Se2 V -","- H5 N O7 Se2 V -","- H10 N2 O14 Se4 V2 -","2","0.5","","Emirdag-Eanes, M.; Ibers, J.A.","Synthesis and characterization of two vanadium chalcogenides, (N H4) (H (V O) (Se O3)2) and Cs4 ((V O S2)2 (mue-O)), prepared solvothermally","Journal of Alloys Compd.","2003","361","","66","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533141","13.328","","8.7912","","12.214","","90","","90","","90","","1431.1","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs4 ((V O S2)2 O)","","- Cs4 O3 S4 V2 -","- Cs4 O3 S4 V2 -","- Cs16 O12 S16 V8 -","4","0.5","","Emirdag-Eanes, M.; Ibers, J.A.","Synthesis and characterization of two vanadium chalcogenides, (N H4) (H (V O) (Se O3)2) and Cs4 ((V O S2)2 (mue-O)), prepared solvothermally","Journal of Alloys Compd.","2003","361","","66","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1533243","7.689","","14.8196","","7.78","","90","","90","","90","","886.515","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Gd5 Ge4 -","- Gd5 Ge4 -","- Gd20 Ge16 -","4","0.5","","Yang, H.F.; Liu, G.Y.; Rao, G.-H.; Liang, J.K.; Ouyang, Z.W.; Feng, X.M.; Liu, W.F.; Chu, W.G.","Crystal structures of compounds in the pseudobinary system (Gd5 Ge4) - (La5 Ge4)","Journal of Alloys Compd.","2003","361","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533244","7.7486","","15.0729","","7.9648","","90","","90","","92.29","","929.497","","","","","","","","","","","","","3","P 1 1 21/a","-P 2ac","14","","Gd3 La2 Ge4","","- Gd3 Ge4 La2 -","- Gd3 Ge4 La2 -","- Gd12 Ge16 La8 -","4","1","","Yang, H.F.; Liang, J.K.; Liu, G.Y.; Rao, G.-H.; Chu, W.G.; Ouyang, Z.W.; Feng, X.M.; Liu, W.F.","Crystal structures of compounds in the pseudobinary system (Gd5 Ge4) - (La5 Ge4)","Journal of Alloys Compd.","2003","361","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533245","8.0761","","15.5209","","8.1725","","90","","90","","90","","1024.41","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","La5 Ge4","","- Ge4 La5 -","- Ge4 La5 -","- Ge16 La20 -","4","0.5","","Yang, H.F.; Rao, G.-H.; Liu, G.Y.; Ouyang, Z.W.; Feng, X.M.; Liu, W.F.; Chu, W.G.; Liang, J.K.","Crystal structures of compounds in the pseudobinary system (Gd5 Ge4) - (La5 Ge4)","Journal of Alloys Compd.","2003","361","","113","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","159379","2020-10-21","18:00:00",""
"1533306","13.197","","10.237","","8.509","","90","","101.29","","90","","1127.3","","","","","","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","Ba2 Al D7","","- Al Ba2 D7 -","- Al Ba2 D7 -","- Al8 Ba16 D56 -","8","1","","Zhang, Q.-A.; Akiba, E.; Nakamura, Y.; Kamiyama, T.; Oikawa, K.","Hydrogen-induced phase decomposition of Ba7 Al13 and the crystal structure of Ba2 Al H7","Journal of Alloys Compd.","2003","361","","180","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533412","12.0496","","12.0496","","3.8649","","90","","90","","90","","561.156","","","","","","","","","","","","","4","P -4 n 2","P -4 -2n","118","","Sm2 Ba4 Cu2 O9","","- Ba4 Cu2 O9 Sm2 -","- Ba4 Cu2 O9 Sm2 -","- Ba8 Cu4 O18 Sm4 -","2","0.25","","Schuepp, B.; Wende, C.","Synthesis and crystal structure of Sm2 Ba4 Cu2 O9","Journal of Alloys Compd.","2003","361","","71","76","","","","","","","","","","","","","","","","","","","","","","has coordinates","159653","2020-10-21","18:00:00",""
"1533427","5.5259","","5.5259","","17.5156","","90","","90","","90","","534.849","","","","","","","","","","","","","2","P -4 c 2","P -4 -2c","116","","","","- Mn4 Si7 -","- Mn4 Si7 -","- Mn16 Si28 -","4","0.5","","Gottlieb, U.; Sulpice, A.; Lambert-Andron, B.; Laborde, O.","Magnetic properties of single crystalline Mn4 Si7","Journal of Alloys Compd.","2003","361","","13","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533792","23.689","","13.572","","44.509","","90","","91.248","","90","","14306.6","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- K12 Si17 -","- K12 Si17 -","- K192 Si272 -","16","4","","Hoch, C.; Wendorff, M.; Roehr, C.","Synthesis and crystal structure of the tetrelides A12 M17 (A = Na, K, Rb, Cs; M = Si, Ge, Sn) and A4 B9 (A = K, Rb)","Journal of Alloys Compd.","2003","361","","206","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533794","15.041","","15.393","","21.478","","90","","90","","90","","4972.72","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- Rb12 Sn17 -","- Rb12 Sn17 -","- Rb48 Sn68 -","4","1","","Hoch, C.; Wendorff, M.; Roehr, C.","Synthesis and crystal structure of the tetrelides A12 M17 (A = Na, K, Rb, Cs; M = Si, Ge, Sn) and A4 B9 (A = K, Rb)","Journal of Alloys Compd.","2003","361","","206","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533798","9.601","","13.19","","15.823","","90","","103.19","","90","","1950.92","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- K4 Pb9 -","- K4 Pb9 -","- K16 Pb36 -","4","1","","Hoch, C.; Wendorff, M.; Roehr, C.","Synthesis and crystal structure of the tetrelides A12 M17 (A = Na, K, Rb, Cs; M = Si, Ge, Sn) and A4 B9 (A = K, Rb)","Journal of Alloys Compd.","2003","361","","206","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533801","9.894","","13.406","","16.243","","90","","103.23","","90","","2097.27","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Rb4 Pb9","","- Pb9 Rb4 -","- Pb9 Rb4 -","- Pb36 Rb16 -","4","1","","Hoch, C.; Wendorff, M.; Roehr, C.","Synthesis and crystal structure of the tetrelides A12 M17 (A = Na, K, Rb, Cs; M = Si, Ge, Sn) and A4 B9 (A = K, Rb)","Journal of Alloys Compd.","2003","361","","206","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","160081","2020-10-21","18:00:00",""