# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T13:48:44+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 'Acta Chemica Scandinavica') AND volume = 27 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
"1511340","10.53","","2.9038","","6.1013","","90","","91.119","","90","","186.524","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ir B1.26","","- B1.26 Ir -","- B1.255 Ir -","- B10.04 Ir8 -","8","1","","Lundstroem, T.; Tergenius, L.E.","Refinement of the crystal structure of the non-stoichiometric boride Ir B1.35","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","3705","3711","10.3891/acta.chem.scand.27-3705","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1523998","8.258","","11.662","","8.925","","90","","90","","90","","859.52","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","K2 (Hg Cl4) (H2 O)","","- Cl4 H2 Hg K2 O -","- Cl4 Hg K2 O -","- Cl16 Hg4 K8 O4 -","4","0.5","","Aurivillius, K.; Stalhandske, C.","An X-ray single crystal study of K2 Hg Cl4 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1086","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524426","11.139","","5.243","","21.306","","90","","106.94","","90","","1190.32","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ba Te (S2 O3)2 (H2 O)3","","- Ba H6 O9 S4 Te -","- Ba H6 O9 S4 Te -","- Ba4 H24 O36 S16 Te4 -","4","1","","Gjerrestad, K.; Maroy, K.","The crystal structure of barium telluropentathionate trihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1653","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","189186","2020-10-21","18:00:00",""
"1524890","11.591","","10.835","","9.145","","90","","111.93","","90","","1065.4","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","K2 Ba (S6 O6)2","","- Ba K2 O12 S12 -","- Ba K2 O12 S12 -","- Ba2 K4 O24 S24 -","2","0.5","","Maroy, K.","Refinement of the crystal structure of potassium barium hexathionate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1684","1694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525008","7.651","","7.549","","9.094","","90.06","","88.53","","93.75","","523.949","","","","","","","","","","","","","4","P -1","-P 1","2","","Zn2 (S O3)2 (H2 O)5","","- H10 O11 S2 Zn2 -","- O11 S2 Zn2 -","- O22 S4 Zn4 -","2","1","","Nyberg, B.","The crystal structure of Zn S O3 (H2 O)2.5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1541","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"1525351","14.025","","14.025","","5.761","","90","","90","","90","","1133.19","","","","","","","","","","","","","7","I 4/m","-I 4","87","","Na4 (Ni (N H3)4) (Ag (S2 O3)2)2 N H3","","- Ag2 H15 N5 Na4 Ni O12 S8 -","- Ag2 N5 Na4 Ni O12 S8 -","- Ag4 N10 Na8 Ni2 O24 S16 -","2","0.125","","Stomberg, R.; Svensson, I.B.; Tomlinson, A.A.G.","The crystal structure and spectra of Na4 (Ni (N H3)4) (Ag (S2 O3)2)2 N H3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1192","1202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527069","3.972","","3.972","","20.34","","90","","90","","120","","277.907","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","((Fe0.28 Ni0.28) Te0.44)13.6","","- Fe3.808 Ni3.808 Te5.984 -","- Fe3.789 Ni3.789 Te6 -","- Fe3.789 Ni3.789 Te6 -","1","0.0555556","","Akesson, G.; Rost, E.","The crystal structure of Fe0.28 Ni0.28 Te0.44","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","79","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","148367","2020-10-21","18:00:00",""
"1527089","26.1998","","9.4652","","3.4641","","90","","90","","90","","859.05","","","","","","","","","","","","","2","P b a m","-P 2 2ab","55","","","","- Nb8 P5 -","- Nb8 P5 -","- Nb32 P20 -","4","0.5","","Anugul, S.; Pontchour, C.-O.; Rundqvist, S.","The crystal structure of Nb8 P5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","26","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527386","3.9743","","14.492","","13.73","","90","","90","","90","","790.787","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Hf Te5 -","- Hf Te5 -","- Hf4 Te20 -","4","0.25","","Furuseth, S.; Brattas, L.; Kjekshus, A.","The crystal structure of Hf Te5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2367","2374","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527640","6.815","","6.815","","12.506","","90","","90","","120","","503.015","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Ni5 As2","","- As2 Ni5 -","- As2 Ni5 -","- As12 Ni30 -","6","0.5","","Kjekshus, A.; Skaug, K.E.","On the crystal structure of Ni5 As2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","582","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","149314","2020-10-21","18:00:00",""
"1527768","5.003","","10.588","","23.635","","90","","98.61","","90","","1237.88","","","","","","","","","","","","","5","A 1 2/m 1","-A 2y","12","","Ba Te (S2 O3)2 (H2 O)1.26","","- Ba H2.52 O7.26 S4 Te -","- Ba H2.528 O7.264 S4 Te -","- Ba4 H10.112 O29.056 S16 Te4 -","4","0.5","","Maroy, K.","Refinement of the Crystal Structure of Monoclinic Barium Telluropentathionate Dihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1695","1704","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527873","8.88","","3.98","","9.48","","90","","117.4","","90","","297.459","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","(N H4)3 Dy (S O3)3 H2 O","","- Dy N3 S3 -","- Dy H12 N3 S3 -","- Dy H12 N3 S3 -","1","0.25","","Niinisto, L.; Larsson, L.O.","On the structure of beta-Dy (N H4)3 (S O3)3 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2250","2252","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1541693","14.121","","14.121","","16.316","","90","","90","","120","","2817.57","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb4 (O H)4 )3 (C O3) (Cl O4)10 (H2 O)6","","- C H24 Cl10 O61 Pb12 -","- C Cl10 O60.9998 Pb12 -","- C2 Cl20 O122 Pb24 -","2","0.166667","","Hong, S.H.; Olin, A.","On the crystal structure of (Pb4 (O H)4 )3 (C O3) (Cl O4)10 (H2 O)6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2309","2320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541843","11.543","","13.587","","6.847","","90","","90","","90","","1073.85","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Hf4 ((O H)7.44 (Cr O4)0.28) (Cr O4)4 (H2 O)1.72","","- Cr4.28 H10.88 Hf4 O26.28 -","- Cr4.28 Hf4 O26.28 -","- Cr8.56 Hf8 O52.56 -","2","0.25","","Hansson, M.; Mark, W.","The crystal structure of a basic hafnium chromate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","3467","3476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541848","13.47","","8.5292","","9.7818","","90","","90","","90","","1123.81","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K3 (V O (C N)5)","","- C5 K3 N5 O V -","- C5 K3 N5 O V -","- C20 K12 N20 O4 V4 -","4","1","","Jagner, S.; Vannerberg, N.G.","The crystal structure of potassium oxopentacyanovanadate(IV), K3 (V O (C N)5)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","3482","3498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541861","11.629","","13.6534","","6.8818","","90","","90","","90","","1092.66","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Zr4 (O H)6.10 (Cr O4)4.95 (H2 O)0.6","","- Cr4.95 H7.3 O26.5 Zr4 -","- Cr4.95 O26.5 Zr4 -","- Cr9.9 O53 Zr8 -","2","0.25","","Mark, W.","The Crystal structure of Zr4 (O H)6 (Cr O4)5 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","177","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542228","10.2226","","10.2226","","7.2055","","90","","90","","120","","652.105","","","","","","","","","","","","","5","P -3","-P 3","147","","(N H4)9 (Fe (S O3)6)","","- Fe H36 N9 O18 S6 -","- Fe H36 N9 O18 S6 -","- Fe H36 N9 O18 S6 -","1","0.166667","","Larsson, L.O.; Niinisto, L.","The crystal structure of ammonium hexasulphitoferrate(III), (N H4)9 (Fe (S O)6)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","859","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","186580","2020-10-21","18:00:00",""
"5000037","4.443","","5.424","","3.386","","90","","90","","90","","81.6","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Iron persulfide","Marcasite","?","- Fe S2 -","- Fe2 S4 -","2","0.25","","Brostigen, G; Kjekshus, A; Romming, C","","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2791","2796","10.3891/acta.chem.scand.27-2791","","","","","","0.0561","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"9012548","12.32","","12.32","","9.88","","90","","90","","120","","1298.7","","","","","","","","","","","","","4","P -6","P -6","174","","","Hydroxyl-bastnasite-(Nd)","- C H Nd O4 -","- C H Nd O4 -","- C18 H18 Nd18 O72 -","18","3","","Christensen, N.","Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure of NdOHCO3","Acta Chemica Scandinavica","1973","27","","2973","2982","10.3891/acta.chem.scand.27-2973","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""