# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T15:16:12+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 'Acta Crystallographica') AND volume = 19 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
"2310073","9.89","","9.89","","9.89","","90","","90","","90","","967.362","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ag7 (N O3) O8","","- Ag7 N O11 -","- Ag7 N O11 -","- Ag28 N4 O44 -","4","0.0208333","","Naray-Szabo, I.; Argay, G.; Szabo, P.","The structure of the Ag(I,III) oxide phases","Acta Crystallographica (1,1948-23,1967)","1965","19","","180","184","10.1107/S0365110X65003043","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310094","10.05","","8.55","","4.47","","90","","90","","90","","384.096","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Fe3 B O6","","- B Fe3 O6 -","- B Fe3 O6 -","- B4 Fe12 O24 -","4","0.5","","White, J.G.; Nielsen, R.E.; Miller, A.","Fe3 B O6, a borate isostructural with the mineral norgergite","Acta Crystallographica (1,1948-23,1967)","1965","19","","1060","1061","10.1107/S0365110X6500498X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310099","3.276","","8.669","","3.157","","90","","90","","90","","89.658","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Ta B","","- B Ta -","- B Ta -","- B4 Ta4 -","4","0.25","","Parthe, E.; Schob, O.","AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and Cs Cl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","10.1107/S0365110X65003134","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310100","3.1","","8.17","","2.98","","90","","90","","90","","75.474","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","V B","","- B V -","- B V -","- B4 V4 -","4","0.25","","Parthe, E.; Schob, O.","AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and CsCl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","10.1107/S0365110X65003134","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310102","7.5","","7.5","","7.5","","90","","90","","90","","421.875","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Y B12","","- B12 Y -","- B12 Y -","- B48 Y4 -","4","0.0208333","","Barrett, R.; Matkovic, V.I.; Giese, R.F.jr.; Economy, J.","The structure of metallic dodecaborides","Acta Crystallographica (1,1948-23,1967)","1965","19","","1056","1058","10.1107/S0365110X65004954","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310105","10.56","","8.2","","13.01","","90","","104.95","","90","","1088.43","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba O (B2 O3)2","","- B4 Ba O7 -","- B4 Ba O7 -","- B32 Ba8 O56 -","8","2","","Perloff, A.; Block, S.","The crystal structure of barium tetraborate, Ba O (B2 O3)2","Acta Crystallographica (1,1948-23,1967)","1965","19","","297","300","10.1107/S0365110X65003341","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310188","4.38","","6.29","","13.673","","90","","90","","90","","376.694","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Ga4 Pu -","- Ga4 Pu -","- Ga16 Pu4 -","4","0.25","","Ellinger, F.H.; Zachariasen, W.H.","The crystal structure of Pu Ga4 and Pu Ga6","Acta Crystallographica (1,1948-23,1967)","1965","19","","281","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310189","5.942","","5.942","","7.617","","90","","90","","90","","268.936","","","","","","","","","","","","","2","P 4/n b m :1","P 4 2 -1ab","125","","","","- Ga6 Pu -","- Ga6 Pu -","- Ga12 Pu2 -","2","0.125","","Ellinger, F.H.; Zachariasen, W.H.","The crystal structure of Pu Ga4 and Pu Ga6","Acta Crystallographica (1,1948-23,1967)","1965","19","","281","283","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310215","8.467","","8.467","","6.158","","90","","90","","120","","382.322","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","","","- Pb3 Sc5 -","- Pb3 Sc5 -","- Pb6 Sc10 -","2","0.0833333","","Jeitschko, W.; Parthe, E.","Stannides and plumbides of Sc, Y, La and Ce with D8(8) structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","275","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310227","3.774","","3.774","","3.774","","90","","90","","90","","53.753","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho In -","- Ho In -","- Ho In -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, and Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310228","4.058","","4.058","","4.058","","90","","90","","90","","66.825","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Pt3 -","- Ho Pt3 -","- Ho Pt3 -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, and Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310243","4.022","","10.205","","3.895","","90","","90","","90","","159.868","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Sc -","- Ga Sc -","- Ga4 Sc4 -","4","0.25","","Schob, O.; Parthe, E.","A B compounds wit Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and Cs Cl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310244","4.302","","10.86","","4.073","","90","","90","","90","","190.289","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ga Y -","- Ga Y -","- Ga4 Y4 -","4","0.25","","Schob, O.; Parthe, E.","AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium compounds with Cr B and Cs Cl structure","Acta Crystallographica (1,1948-23,1967)","1965","19","","214","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310248","4.9779","","4.9779","","24.449","","90","","90","","120","","524.667","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ni3 Y -","- Ni3 Y -","- Ni27 Y9 -","9","0.25","","Smith, J.F.; Hansen, D.A.","The structures of Y Ni3, Y Co3, Th Fe3 and Gd Fe3","Acta Crystallographica (1,1948-23,1967)","1965","19","","1019","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310249","5.181","","5.181","","25.2","","90","","90","","120","","585.812","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe3 Th -","- Fe3 Th -","- Fe27 Th9 -","9","0.25","","Smith, J.F.; Hansen, D.A.","The structures of Y Ni3, Y Co3, Th Fe3 and Gd Fe3","Acta Crystallographica (1,1948-23,1967)","1965","19","","1019","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310279","11.39","","11.39","","11.39","","90","","90","","90","","1477.65","","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Cd Ni -","- Cd Ni -","- Cd48 Ni48 -","48","0.25","","Critchley, J.K.; Jeffery, J.W.","A determination of the crystal structure of Cd Ni","Acta Crystallographica (1,1948-23,1967)","1965","19","","674","676","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310290","2.9098","","2.9098","","2.9098","","90","","90","","90","","24.637","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Fe0.875 Mo0.125)","","- Fe0.875 Mo0.125 -","- Fe0.875 Mo0.125 -","- Fe1.75 Mo0.25 -","2","0.0208333","","Fuchs, A.; Ilschner, B.","Gitterkonstanten von Fe-Mo Legierungen mit Mo- Gehalten bis 20 Gew.%","Acta Crystallographica (1,1948-23,1967)","1965","19","","488","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","145136","2020-10-21","18:00:00",""
"2310306","3.745","","3.745","","3.745","","90","","90","","90","","52.524","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er In -","- Er In -","- Er In -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310307","3.704","","3.704","","3.704","","90","","90","","90","","50.817","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Tl -","- Er Tl -","- Er Tl -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, and Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310314","5.02","","5.02","","24.4","","90","","90","","120","","532.51","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Co3 Y -","- Co3 Y -","- Co27 Y9 -","9","0.25","","Smith, J.F.; Hansen, D.A.","The structures of Y Ni3, Y Co3, Th Fe3 and Gd Fe3","Acta Crystallographica (1,1948-23,1967)","1965","19","","1019","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310315","5.148","","5.148","","24.62","","90","","90","","120","","565.062","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Fe3 Gd -","- Fe3 Gd -","- Fe27 Gd9 -","9","0.25","","Smith, J.F.; Hansen, D.A.","The structures of Y Ni3, Y Co3, Th Fe3 and Gd Fe3","Acta Crystallographica (1,1948-23,1967)","1965","19","","1019","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310324","9.605","","9.605","","9.605","","90","","90","","90","","886.119","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Cd11 Na2 -","- Cd11 Na2 -","- Cd33 Na6 -","3","0.125","","Wong Chihsiang; Chieh Chung; Lee Tseng-Yuh","The crystal structure of Na2 Cd11","Acta Crystallographica (1,1948-23,1967)","1965","19","","849","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310443","4.573","","7.325","","7.569","","90","","90","","90","","253.54","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Yb Zn2 -","- Yb Zn2 -","- Yb4 Zn8 -","4","0.25","","Michel, D.J.; Ryba, E.","The crystal structure of Yb Zn2","Acta Crystallographica (1,1948-23,1967)","1965","19","","687","688","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310947","4.57","","4.57","","4.57","","90","","90","","90","","95.444","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho In3 -","- Ho In3 -","- Ho In3 -","1","0.0208333","","Moriarty, J.L.; Humphreys, J.E.; Gordon, R.O.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310948","3.72","","3.72","","3.72","","90","","90","","90","","51.479","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Tl -","- Ho Tl -","- Ho Tl -","1","0.0208333","","Moriarty, J.L.; Gordon, R.O.; Humphreys, J.E.","Some new intermetallic compounds of holmium and erbium with Ag, Au, Pt, Al, In, Tl, Ge","Acta Crystallographica (1,1948-23,1967)","1965","19","","285","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9007486","7.12","","7.43","","6.79","","90","","102.42","","90","","350.796","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","Crocoite","- Cr O4 Pb -","- Cr O4 Pb -","- Cr4 O16 Pb4 -","4","1","","Quareni, S.; De Pieri, R.","A three-dimensional refinement of the structure of crocoite, PbCrO4","Acta Crystallographica","1965","19","","287","289","10.1107/S0365110X65003304","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011060","11.35","","5.456","","3.749","","90","","90","","90","","232.159","","","","","","","","","","","","Lauta, Saxony, Germany","3","P n a 21","P 2c -2n","33","","","Lautite","- As Cu S -","- As Cu S -","- As4 Cu4 S4 -","4","1","","Craig, D. C.; Stephenson, N. C.","The crystal structure of lautite, CuAsS","Acta Crystallographica","1965","19","","543","547","10.1107/S0365110X65003869","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9016677","5.0598","","6.7462","","4.5074","","90","","90","","90","","153.857","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Cohenite","- C Fe2.7 Mn0.3 -","- C Fe2.7 Mn0.3 -","- C4 Fe10.8 Mn1.2 -","4","0.5","","Fasiska, E. J.; Jeffery, G. A.","On the cementite structure","Acta Crystallographica","1965","19","","463","471","10.1107/S0365110X65003602","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""