# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-20T22:10:54+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 'Australian Journal of Chemistry') AND volume = 53 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
"1521047","11.108","","10.955","","11.666","","90","","103.32","","90","","1381.42","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(Ni (S2 O3)) (C14 H12 N2)","","- C14 H12 N2 Ni O3 S2 -","- C14 N2 Ni O3 S2 -","- C56 N8 Ni4 O12 S8 -","4","1","","Freire, E.; Baggio, S.; Suescun, L.; Baggio, R.","X-ray study of two nickel(II)-thiosulfate compounds","Australian Journal of Chemistry","2000","53","","785","790","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521676","19.118","","19.118","","12.383","","90","","90","","120","","3919.6","","","","","","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","K6 (Co W12 O40) (H2 O)16","","- Co K5 O46 W12 -","- Co K5 O46 W12 -","- Co3 K15 O138 W36 -","3","0.25","","Nolan, A.L.; Allen, C.C.; Burns, R.C.; Craig, D.C.; Lawrance, G.A.","X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II)","Australian Journal of Chemistry","2000","53","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521677","19.111","","19.111","","12.509","","90","","90","","120","","3956.58","","","","","","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","K5 (Co W12 O40) (H2 O)3","","- Co H6 K5 O43 W12 -","- Co K5 O43 W12 -","- Co3 K15 O129 W36 -","3","0.25","","Nolan, A.L.; Allen, C.C.; Burns, R.C.; Lawrance, G.A.; Craig, D.C.","X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II)","Australian Journal of Chemistry","2000","53","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525769","11.758","","8.016","","8.858","","90","","90","","90","","834.885","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(La (H2 O)9) I3","","- H18 I3 La O9 -","- I3 La O9 -","- I6 La2 O18 -","2","0.25","","Lim, K.C.; Skelton, B.W.; White, A.H.","Structural systematics of rare earth complexes. XXII. ('Maximally') hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525771","11.26","","7.933","","8.844","","90","","90","","90","","789.995","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Ho (H2 O)9) I3","","- H18 Ho I3 O9 -","- H18 Ho I3 O9 -","- H36 Ho2 I6 O18 -","2","0.25","","Lim, K.C.; Skelton, B.W.; White, A.H.","Structural systematics of rare earth complexes. XXII. ('Maximally')hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525772","11.53","","7.928","","8.907","","90","","90","","90","","814.187","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Sm (H2 O)9) I3","","- H18 I3 O9 Sm -","- H18 I3 O9 Sm -","- H36 I6 O18 Sm2 -","2","0.25","","Lim, K.C.; Skelton, B.W.; White, A.H.","Structural systematics of rare earth complexes. XXII. ('Maximally')hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525773","11.47","","7.902","","8.923","","90","","90","","90","","808.744","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Gd (H2 O)9) I3","","- Gd H18 I3 O9 -","- Gd H18 I3 O9 -","- Gd2 H36 I6 O18 -","2","0.25","","Lim, K.C.; Skelton, B.W.; White, A.H.","Structural systematics of rare earth complexes. XXII. ('Maximally')hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525775","8.196","","12.87","","17.106","","90","","103.676","","90","","1753.23","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Er (H2 O)8) I3 (H2 O)2","","- Er H20 I3 O10 -","- Er I3 O10 -","- Er4 I12 O40 -","4","1","","Lim, K.C.; White, A.H.; Skelton, B.W.","Structural systematics of rare earth complexes. XXII. ('Maximally')hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525777","8.162","","12.836","","17.059","","90","","103.785","","90","","1735.75","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Lu (H2 O)8) I3 (H2 O)2","","- H20 I3 Lu O10 -","- I3 Lu O10 -","- I12 Lu4 O40 -","4","1","","Lim, K.C.; Skelton, B.W.; White, A.H.","Structural systematics of rare earth complexes. XXII. ('Maximally')hydrated rare earth iodides","Australian Journal of Chemistry","2000","53","","867","873","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525779","7.516","","7.564","","9.468","","90","","99.212","","90","","531.323","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","(Sc (H2 O)7) Cl3","","- Cl3 H14 O7 Sc -","- Cl3 H14 O7 Sc -","- Cl6 H28 O14 Sc2 -","2","0.5","","Lim, K.C.; Skelton, B.W.; White, A.H.","Crystal structures of the 'maximally' hydrated scandium halides, Sc X3 . n(H2 O) (X = Cl, Br, I)","Australian Journal of Chemistry","2000","53","","875","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525781","7.714","","7.764","","9.762","","90","","98.876","","90","","577.659","","","","","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","(Sc (H2 O)7) Br3","","- Br3 H14 O7 Sc -","- Br3 O7 Sc -","- Br6 O14 Sc2 -","2","0.5","","Lim, K.C.; Skelton, B.W.; White, A.H.","Crystal structures of the 'maximally' hydrated scandium halides, ScX3 . n(H2 O) (X = Cl, Br, I)","Australian Journal of Chemistry","2000","53","","875","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525783","13.584","","8.216","","14.172","","90","","113.45","","90","","1451.05","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Sc (H2 O)7) I3 (H2 O)","","- H16 I3 O8 Sc -","- H16 I3 O8 Sc -","- H64 I12 O32 Sc4 -","4","1","","Lim, K.C.; Skelton, B.W.; White, A.H.","Crystal structures of the 'maximally' hydrated scandium halides, ScX3 . n(H2 O) (X = Cl, Br, I)","Australian Journal of Chemistry","2000","53","","875","878","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"6000036","9.4302","","9.4302","","6.8911","","90","","90","","120","","530.72","","","","","","","","","","","","","4","P 63/m","","","","","","- Ca10 H2 O26 P6 -","","","","","","Kim, J. Y.; Fenton, R. R.; Hunter, B. A.; Kennedy, B. J.","Powder diffraction studies of synthetic calcium and lead apatites","Australian Journal of Chemistry","2000","53","","679","686","10.1071/CH00060","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000037","9.3475","0.0003","9.3475","0.0003","6.8646","0.0001","90","","90","","120","","519.5","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca10 F2 O24 P6 -","","","","","","Kim, J. Y.; Fenton, R. R.; Hunter, B. A.; Kennedy, B. J.","Powder diffraction studies of synthetic calcium and lead apatites","Australian Journal of Chemistry","2000","53","","679","686","10.1071/CH00060","","","","","","","","","","","","","","","","","","","","","","203334","2020-10-21","18:00:00",""
"6000038","9.5902","","9.5902","","6.7666","","90","","90","","120","","538.96","","","","","","","","","","","","","4","P 63/m","","","","","","- Ca10 Cl2 O24 P6 -","","","","","","Kim, J. Y.; Fenton, R. R.; Hunter, B. A.; Kennedy, B. J.","Powder diffraction studies of synthetic calcium and lead apatites","Australian Journal of Chemistry","2000","53","","679","686","10.1071/CH00060","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000039","9.6482","","9.6482","","6.7788","","90","","90","","120","","546.48","","","","","","","","","","","","","4","P 63/m","","","","","","- Br2 Ca10 O24 P6 -","","","","","","Kim, J. Y.; Fenton, R. R.; Hunter, B. A.; Kennedy, B. J.","Powder diffraction studies of synthetic calcium and lead apatites","Australian Journal of Chemistry","2000","53","","679","686","10.1071/CH00060","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000040","9.8612","","9.8612","","7.4242","","90","","90","","120","","625.23","","","","","","","","","","","","","4","P 63/m","","","","","","- H2 O26 P6 Pb10 -","","","","","","Kim, J. Y.; Fenton, R. R.; Hunter, B. A.; Kennedy, B. J.","Powder diffraction studies of synthetic calcium and lead apatites","Australian Journal of Chemistry","2000","53","","679","686","10.1071/CH00060","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000041","9.7547","","9.7547","","7.2832","","90","","90","","120","","600.18","","","","","","","","","","","","","4","P 63/m","","","","","","- F2 O24 P6 Pb10 -","","","","","","Kim, J. Y.; Fenton, R. R.; Hunter, B. A.; Kennedy, B. J.","Powder diffraction studies of synthetic calcium and lead apatites","Australian Journal of Chemistry","2000","53","","679","686","10.1071/CH00060","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000042","9.9767","","9.9767","","7.3255","","90","","90","","120","","631.45","","","","","","","","","","","","","4","P 63/m","","","","","","- Cl2 O24 P6 Pb10 -","","","","","","Kim, J. Y.; Fenton, R. R.; Hunter, B. A.; Kennedy, B. J.","Powder diffraction studies of synthetic calcium and lead apatites","Australian Journal of Chemistry","2000","53","","679","686","10.1071/CH00060","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000043","10.0618","","10.0618","","7.3792","","90","","90","","120","","646.98","","","","","","","","","","","","","4","P 63/m","","","","","","- Br2 O24 P6 Pb10 -","","","","","","Kim, J. Y.; Fenton, R. R.; Hunter, B. A.; Kennedy, B. J.","Powder diffraction studies of synthetic calcium and lead apatites","Australian Journal of Chemistry","2000","53","","679","686","10.1071/CH00060","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""