# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-17T16:06:09+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 = 6 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
"1009031","3.03","0.01","3.03","0.01","5.33","0.02","90","","90","","90","","48.9","","","","","","","","","","","","synthetic","2","P 42/m m c (a,b+1/2,c)","-P 4c 2 (x,y+1/2,z)","131","","Palladium oxide","Palladinite","- O Pd -","- O Pd -","- O2 Pd2 -","2","","","Waser, J.; Levy, H. A.; Peterson, S. W.","The structure of PdO Locality: synthetic","Acta Crystallographica","1953","6","","661","663","10.1107/S0365110X53001800","","","","","","","","","","","","","","","","","","","","","has coordinates","287588","2023-11-14","18:05:45",""
"2310021","3.882","","3.882","","3.882","","90","","90","","90","","58.501","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Lanthanum silver titanate (0.67/0.33/1)","","- Ag0.327 La0.673 O3 Ti -","- Ag0.327 La0.673 O3 Ti -","- Ag0.327 La0.673 O3 Ti -","1","0.0208333","","Fankuchen, I.; Banks, E.; Brous, J.","Rare earth titanates with a perovskite structure","Acta Crystallographica (1,1948-23,1967)","1953","6","","67","70","10.1107/S0365110X53000156","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310107","7.256","","7.256","","4.113","","90","","90","","90","","216.548","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Th B4","","- B4 Th -","- B4 Th -","- B16 Th4 -","4","0.25","","Zalkin, A.; Templeton, D.H.","The crystal structures of Ce B4, Th B4 and U B4","Acta Crystallographica (1,1948-23,1967)","1953","6","","269","272","10.1107/S0365110X53000764","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310225","10.58","","10.58","","17.746","","90","","90","","90","","1986.42","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- Na Pb -","- Na Pb -","- Na32 Pb32 -","32","1","","Marsh, R.E.; Shoemaker, D.P.","The crystal structure of Na Pb","Acta Crystallographica (1,1948-23,1967)","1953","6","","197","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310278","7.63","","7.63","","2.89","","90","","90","","90","","168.247","","","","","","","","","","","","","3","P b m m","-P 2 2b","51","","Ni1.4 Al4.67 O8.7","","- Al4.666 Ni1.4 O6 -","- Al4.666 Ni1.4 O6 -","- Al4.666 Ni1.4 O6 -","1","0.125","","Cowley, J.M.","Structure analysis of single crystals by electron diffraction. III. Modification of alumina","Acta Crystallographica (1,1948-23,1967)","1953","6","","846","853","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2310719","11.53","","9.18","","4.67","","89.22","","95.2","","95.13","","490.284","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- Cs2 S6 -","- Cs2 S6 -","- Cs4 S12 -","2","1","","Abrahams, S.C.; Grison, E.","The Crystal Structure of Cesium Hexasulfide","Acta Crystallographica (1,1948-23,1967)","1953","6","","206","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310728","6.05","","9.39","","7.65","","90","","90","","90","","434.593","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Pb Zn (V O4) (O H)","","- H O5 Pb V Zn -","- O5 Pb V Zn -","- O20 Pb4 V4 Zn4 -","4","0.5","","Bachmann, H.G.","Die Kristallstruktur des Descloizit","Acta Crystallographica (1,1948-23,1967)","1953","6","","102","102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310755","3.905","","3.905","","3.905","","90","","90","","90","","59.547","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Eu (Ti O3)","","- Eu O3 Ti -","- Eu O3 Ti -","- Eu O3 Ti -","1","0.0208333","","Brous, J.; Fankuchen, I.; Banks, E.","Rare earth titanates with a perovskite structure","Acta Crystallographica (1,1948-23,1967)","1953","6","","67","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310827","12.86","","14.83","","22.34","","94.4","","116.87","","115.6","","3225.59","","","","","","","","","","","","","3","P -1","-P 1","2","","K6 P2 W18 O62 (H2 O)14","","- O62 P2 W18 -","- O62 P2 W18 -","- O124 P4 W36 -","2","1","","Dawson, B.","The Structure of the 9(18)- Heteropoly Anion in Potassium 9(18)- Tungstophosphate, K6 (P2 W18 O62) (H2 O)14","Acta Crystallographica (1,1948-23,1967)","1953","6","","113","126","","","","","","","","","","","","","","","","","","","","","","has coordinates","163158","2020-10-21","18:00:00",""
"2310831","6.68","","3.96","","6.55","","90","","127.9","","90","","136.721","","","","","","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- N2 O2 -","- N2 O2 -","- N4 O4 -","2","0.5","","Dulmage, W.J.; Meyers, E.A.; Lipscomb, W.N.","On the Crystal and Molecular Structure of N2 O2","Acta Crystallographica (1,1948-23,1967)","1953","6","","760","764","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310841","8.75","","10.173","","9.59","","90","","90","","90","","853.642","","","","","","","","","","","","","5","P c m b","-P 2bc 2c","57","","Mn2 Fe (P O4)2 (H2 O)3","","- Fe H6 Mn2 O11 P2 -","- Fe0.999 Mn2.001 O11 P2 -","- Fe3.996 Mn8.004 O44 P8 -","4","0.5","","Eversheim, P.; Kleber, W.","Morphologie und Struktur des Reddingits, P2 O5 (Fe O)3 (H2 O)3","Acta Crystallographica (1,1948-23,1967)","1953","6","","215","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310848","6.84","","6.84","","14.5","","90","","90","","120","","587.504","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Co2 (O H)3 Cl","","- Cl Co2 H3 O3 -","- Cl Co2 O3 -","- Cl6 Co12 O18 -","6","0.166667","","de Wolff, P.M.","The Crystal Structure of Co2 (O H)3 Cl","Acta Crystallographica (1,1948-23,1967)","1953","6","","359","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310864","5.773","","5.773","","6.031","","90","","90","","120","","174.07","","","","","","","","","","","","","5","P 63","P 6c","173","","Na H P O3 N H2","","- H3 N Na O3 P -","- N Na O3 P -","- N2 Na2 O6 P2 -","2","0.333333","","Hobbs, E.; Corbridge, D.E.C.; Raistrick, B.","The Crystal Structure of Monosodium Phosphoramidate, Na H P O3 N H2","Acta Crystallographica (1,1948-23,1967)","1953","6","","621","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310867","4.84","","7.6","","9.62","","90","","90.15","","90","","353.861","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ca B (Si O4) (O H)","","- B Ca H O5 Si -","- B Ca O5 Si -","- B4 Ca4 O20 Si4 -","4","1","","Ito, T.; Mori, H.","The crystal structure of datolite","Acta Crystallographica (1,1948-23,1967)","1953","6","","24","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310915","9.5","","14.66","","3.38","","90","","90","","90","","470.733","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","H N O3 (H2 O)3","","- H7 N O6 -","- N O6 -","- N4 O24 -","4","1","","Luzzati, V.","Structure cristalline de H N O3 (H2 O)3. I. Resolution de la structure, utilisation de la fonction de Patterson","Acta Crystallographica (1,1948-23,1967)","1953","6","","152","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310965","9","","9","","11.58","","90","","90","","90","","937.98","","","","","","","","","","","","","3","P 4/n c c :1","P 4ab 2n -1ab","130","","Sr (O H)2 (H2 O)8","","- H18 O10 Sr -","- O10 Sr -","- O40 Sr4 -","4","0.25","","Smith, H.G.","The crystal structure of strontium hydroxide octahydrate, Sr (O H)2 (H2 O)8","Acta Crystallographica (1,1948-23,1967)","1953","6","","604","609","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310970","8.5621","","8.5621","","11.5288","","90","","90","","90","","845.171","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","Na K5 Cl2 (S2 O6)2","","- Cl2 K5 Na O12 S4 -","- Cl2 K5 Na O12 S4 -","- Cl4 K10 Na2 O24 S8 -","2","0.125","","Stanley, E.","The crystal structures of two potassium sodium chloride dithionates","Acta Crystallographica (1,1948-23,1967)","1953","6","","187","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310971","12.118","","12.118","","5.522","","90","","90","","90","","810.883","","","","","","","","","","","","","5","P 4/n :1","P 4ab -1ab","85","","Na K2 Cl S2 O6","","- Cl K2 Na O6 S2 -","- Cl K2 Na O6 S2 -","- Cl4 K8 Na4 O24 S8 -","4","0.5","","Stanley, E.","The Crystal Structures of Two Potassium Sodium Chloride Dithionates","Acta Crystallographica (1,1948-23,1967)","1953","6","","187","196","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311017","9.56","","2.88","","13.85","","90","","92.5","","90","","380.966","","","","","","","","","","","","","4","A 1 2/m 1","-A 2y","12","","Ba0.66 Mn5 O10 (H2 O)1.34","","- Ba0.66 H2.68 Mn5 O11.34 -","- Ba0.66 Mn5 O11.34 -","- Ba1.32 Mn10 O22.68 -","2","0.25","","Wadsley, A.D.","The crystal structure of psilomelane, (Ba, H2 O)2 Mn5 O10","Acta Crystallographica (1,1948-23,1967)","1953","6","","433","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","206168","2020-10-21","18:00:00",""
"2311019","3.055","","3.055","","3.055","","59.383","","59.383","","59.383","","19.878","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","","","- Fe0.974 O -","- Fe0.974 O -","- Fe0.974 O -","1","0.0833333","","Willis, B.T.M.; Rooksby, H.P.","Change of structure of ferrous oxide at low temperature","Acta Crystallographica (1,1948-23,1967)","1953","6","","827","831","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311020","3.021","","3.021","","3.021","","59.992","","59.992","","59.992","","19.492","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","","","- Fe0.942 O -","- Fe0.942 O -","- Fe0.942 O -","1","0.0833333","","Willis, B.T.M.; Rooksby, H.P.","Change of structure of ferrous oxide at low temperature","Acta Crystallographica (1,1948-23,1967)","1953","6","","827","831","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311027","9.11","","9.11","","9.11","","90","","90","","90","","756.058","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Th4 H15","","- H15 Th4 -","- H15 Th4 -","- H60 Th16 -","4","0.0833333","","Zachariasen, W.H.","Crystal Chemical Studies of the 5F-Series of Elements. XIX. The Crystal Structure of the Higher Thorium Hydride, Th4 H15","Acta Crystallographica (1,1948-23,1967)","1953","6","","393","395","","","","","","","","","","","","","","","","","","","","","","has coordinates","169099","2020-10-21","18:00:00",""
"2311032","8.66","","4.52","","4.75","","90","","117.9","","90","","164.319","","","","","","","","","","","","","2","C 1 2 1","C 2y","5","","Os O4","","- O4 Os -","- O4 Os -","- O8 Os2 -","2","0.5","","Zalkin, A.; Templeton, D.H.","The Crystal Structure of Osmium Tetroxide","Acta Crystallographica (1,1948-23,1967)","1953","6","","106","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311033","7.075","","7.075","","3.979","","90","","90","","90","","199.171","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","U B4","","- B4 U -","- B4 U -","- B16 U4 -","4","0.25","","Zalkin, A.; Templeton, D.H.","The Crystal Structures of Ce B4, Th B4 and U B4","Acta Crystallographica (1,1948-23,1967)","1953","6","","269","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311034","7.205","","7.205","","4.09","","90","","90","","90","","212.32","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Ce B4","","- B4 Ce -","- B4 Ce -","- B16 Ce4 -","4","0.25","","Zalkin, A.; Templeton, D.H.","The crystal structures of Ce B4, Th B4 and U B4","Acta Crystallographica (1,1948-23,1967)","1953","6","","269","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311064","16.59999","","4","","18.7","","90","","74","","90","","1193.58","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","(Mo5.5 W5.5) O32","","- Mo5.5 O32 W5.5 -","- Mo5.5 O32 W5.5 -","- Mo11 O64 W11 -","2","0.5","","Magneli, A.","Structures of the Re O3 - type with Recurrent Dislocations of Atoms: 'Homologous Series' of Molybdenum and Tungsten Oxides","Acta Crystallographica (1,1948-23,1967)","1953","6","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2311067","17","","4","","17.5","","90","","111","","90","","1110.96","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","(Mo5 W5) O29","","- Mo5 O29 W5 -","- Mo5 O29 W5 -","- Mo10 O58 W10 -","2","0.5","","Magneli, A.","Structures of the Re O3 - type with recurrent dislocations of atoms: 'homologous series' of molybdenum and tungsten oxides","Acta Crystallographica (1,1948-23,1967)","1953","6","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2311079","12.05","","3.767","","23.59","","90","","85.28","","90","","1067.17","","","","","","","","","","","","","1","P 1 2/m 1","-P 2y","10","","W10 O29","","- W10 -","- W10 -","- W20 -","2","0.5","","Magneli, A.","Structures of the Re O3 - type with Reccurent Dislocations of Atoms: 'Homologous Series' of Molybdenum and Tungsten Oxides","Acta Crystallographica (1,1948-23,1967)","1953","6","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","174293","2020-10-21","18:00:00",""
"5900034","6.119","","6.604","","12.051","","90","","106.2","","90","","467.64","","","","","","","","","","","","","3","P 1 21/c 1","","14","","Oxalic acid dihydrate","","- C2 H6 O6 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Ahmed, F. R.; Cruickshank, D. W. J.","A refinement of the crystal structure analyses of oxalic acid dihydrate","Acta Crystallographica","1953","6","5","385","392","10.1107/S0365110X53001083","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"9007429","15.025","","10.269","","7.628","","90","","105.83","","90","","1132.3","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","Tilleyite","- C2 Ca5 O13 Si2 -","- C2 Ca5 O13 Si2 -","- C8 Ca20 O52 Si8 -","4","1","","Smith, J. V.","The crystal structure of tilleyite","Acta Crystallographica","1953","6","","9","18","10.1107/S0365110X53000028","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007430","10.53","","10.44","","6.9","","90","","90","","90","","758.539","","","","116","","","","","","","","","4","F d d","","","","","Archerite","- H2 K O4 P -","- H2 K O4 P -","- H16 K8 O32 P8 -","8","","","Frazer B C; Pepinsky R","X-ray analysis of the ferroelectric transition in KH2PO4 Sample: at T = 116 K Locality: synthetic","Acta Crystallographica","1953","6","","273","285","10.1107/S0365110X53000776","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9007431","10.48","","10.48","","6.9","","90","","90","","90","","757.83","","","","126","","","","","","","","Synthetic","4","F -4 d 2","","","","","Archerite","- H2 K O4 P -","- H2 K O4 P -","- H16 K8 O32 P8 -","8","","","Frazer, B. C.; Pepinsky, R.","X-ray analysis of the ferroelectric transition in KH2PO4 Sample: at T = 126 K","Acta Crystallographica","1953","6","","273","285","10.1107/S0365110X53000776","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9010975","8.65","","6.27","","7.43","","101.97","","104","","73.18","","370.154","","","","","","","","","","","","Synthetic","4","P -1","-P 1","2","","","Korshunovskite","- Cl H11 Mg2 O7 -","- Cl H8 Mg2 O7 -","- Cl2 H16 Mg4 O14 -","2","1","","de Wolff, P. M.; Walter-Levy L","The crystal structure of Mg2(OH)3(Cl,Br)*4H2O","Acta Crystallographica","1953","6","","40","44","10.1107/S0365110X53000089","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:51",""
"9010976","12.85","","8.07","","9.31","","90","","93.13","","90","","964.002","","","","","","","","","","","","Synthetic","1","P 1 21/a 1","-P 2yab","14","","","Selenium","- Se8 -","- Se8 -","- Se32 -","4","1","","Marsh, R. E.; Pauling, L.; McCullough, J. D.","The crystal structure of beta-selenium Note: structure known as beta phase Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246","Acta Crystallographica","1953","6","","71","75","10.1107/S0365110X53000168","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9010977","8.73","","10.152","","9.57","","90","","90","","90","","848.16","","","","","","","","","","","","","4","P c m b","-P 2bc 2c","57","","","Phosphoferrite","- Fe3 H6 O11 P2 -","- Fe3 H6 O11 P2 -","- Fe12 H24 O44 P8 -","4","0.5","","Eversheim, P.; Kleber, W.","Morphologie und struktur des reddingits, P2O5*3FeO*3H2O Note: z(FeII) adjusted to match symmetry constraint","Acta Crystallographica","1953","6","","215","216","10.1107/S0365110X53000600","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9010980","9.076","","9.583","","8.578","","90","","90","","90","","746.074","","","","","","","","","","","","Benallt Mine, near Rhiw, Carnarvonshire, U.K.","4","P n a m","-P 2c 2n","62","","","Paracelsian","- Al2 Ba O8 Si2 -","- Al2 Ba O8 Si2 -","- Al8 Ba4 O32 Si8 -","4","0.5","","Smith, J. V.","The crystal structure of paracelsian, BaAl2Si2O8","Acta Crystallographica","1953","6","","613","620","10.1107/S0365110X53001721","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""