# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-18T03:07:14+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 (1,1948-23,1967)') AND volume = 8 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
"2310179","6.59","","6.76","","7.06","","106.08","","101.87","","92.79","","293.872","","","","","","","","","","","","","2","P -1","-P 1","2","","","","- Hg K -","- Hg K -","- Hg4 K4 -","4","2","","Duwell, E.J.; Baenziger, N.C.","The crystal structures of K Hg and K Hg2","Acta Crystallographica (1,1948-23,1967)","1955","8","","705","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310180","8.1","","5.16","","8.77","","90","","90","","90","","366.551","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Hg2 K -","- Hg2 K -","- Hg8 K4 -","4","0.25","","Duwell, E.J.; Baenziger, N.C.","The crystal structures of K Hg and K Hg2","Acta Crystallographica (1,1948-23,1967)","1955","8","","705","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310208","5.769","","5.769","","9.64","","90","","90","","120","","277.849","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pd3 U -","- Pd3 U -","- Pd12 U4 -","4","0.166667","","Hael, T.J.; Williams, G.I.","Compounds of uranium with the transition metals of the second and third long period","Acta Crystallographica (1,1948-23,1967)","1955","8","","494","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310209","5.764","","5.764","","4.899","","90","","90","","120","","140.957","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Pt3 U -","- Pt3 U -","- Pt6 U2 -","2","0.0833333","","Hael, T.J.; Williams, G.I.","Compounds of uranium with the transition metals of the second and third long period","Acta Crystallographica (1,1948-23,1967)","1955","8","","494","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310312","9.07","","17.01","","4.74","","90","","90","","90","","731.291","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","","","- Cr9.61 Mo25.12 Ni21.27 -","- Cr9.608 Mo25.12 Ni21.272 -","- Cr9.608 Mo25.12 Ni21.272 -","1","0.125","","Shoemaker, C.B.; Shoemaker, D.P.","A variation on the sigma-phase structure: the structure of the P phase, Mo - Ni - Cr","Acta Crystallographica (1,1948-23,1967)","1955","8","","734","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310803","5.704","","5.704","","6.699","","90","","90","","90","","217.956","","","","","","","","","","","","","2","I 4/m m m (a+b,-a+b,c)","-I 4 2 (1/2*x+1/2*y,-1/2*x+1/2*y,z)","139","","","","- K O2 -","- K O2 -","- K4 O8 -","4","","","Abrahams, S.C.; Kalnajs, J.","The crystal structure of alpha-potassium superoxide","Acta Crystallographica (1,1948-23,1967)","1955","8","","503","506","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310804","10.437","","12.845","","24.369","","90","","90","","90","","3266.99","","","","","","","","","","","","","1","F d d d :2","-F 2uv 2vw","70","","","","- S8 -","- S8 -","- S128 -","16","0.5","","Abrahams, S.C.","The crystal and molecular structure of orthorhombic sulphur","Acta Crystallographica (1,1948-23,1967)","1955","8","","661","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310811","6.815","","6.815","","4.136","","90","","90","","120","","166.358","","","","","","","","","","","","","2","P -3","-P 3","147","","U3 O8","","- O8 U3 -","- O8 U3 -","- O8 U3 -","1","0.166667","","Siegel, S.","The crystal structure of trigonal U3 O8","Acta Crystallographica (1,1948-23,1967)","1955","8","","617","619","","","","","","","","","","","","","","","","","","","","","","has coordinates","161931","2020-10-21","18:00:00",""
"2310816","7.07","","12.12","","10.66","","90","","90","","90","","913.438","","","","","","","","","","","","","5","P m c n","-P 2n 2a","62","","Cu (N H3)4 S O4 H2 O","","- Cu H14 N4 O5 S -","- Cu H14 N4 O5 S -","- Cu4 H56 N16 O20 S4 -","4","0.5","","Mazzi, F.","The crystal structure of cupric tetrammine sulfate monohydrate, Cu (N H3)4 S O4 H2 O","Acta Crystallographica (1,1948-23,1967)","1955","8","","137","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","189063","2020-10-21","18:00:00",""
"2310817","12.26","","12.26","","12.26","","90","","90","","90","","1842.77","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Sn I4","","- I4 Sn -","- I4 Sn -","- I32 Sn8 -","8","0.333333","","Meller, F.; Fankuchen, I.","The crystal structure of tin tetraiodide","Acta Crystallographica (1,1948-23,1967)","1955","8","","343","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310819","7.297","","4.392","","4.885","","90","","90","","90","","156.557","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","N H2 O H","","- H3 N O -","- H3 N O -","- H12 N4 O4 -","4","1","","Meyers, E.A.; Lipscomb, W.N.","The crystal structure of hydroxylamine","Acta Crystallographica (1,1948-23,1967)","1955","8","","583","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","199684","2020-10-21","18:00:00",""
"2310822","7.678","","7.678","","7.678","","90","","90","","90","","452.631","","","","","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","H P F6 (H2 O)6","","- F6 H13 O6 P -","- F6 H12 O6 P -","- F12 H24 O12 P2 -","2","0.0208333","","Bode, H.; Teufer, G.","Die Kristallstruktur der Hexafluorophosphorsaeure","Acta Crystallographica (1,1948-23,1967)","1955","8","","611","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310823","6.86","","9.98","","11.09","","90","","90","","90","","759.252","","","","","","","","","","","","","2","P m c n","-P 2n 2a","62","","","","- Cs I3 -","- Cs I3 -","- Cs4 I12 -","4","0.5","","Tasman, H.A.; Boswijk, K.H.","Re-investigation of the crystal structure of Cs I3","Acta Crystallographica (1,1948-23,1967)","1955","8","","59","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310825","6.971","","6.971","","6.165","","90","","90","","120","","259.45","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","Hg2 N H Br2","","- Br2 H Hg2 N -","- Br2 Hg2 N -","- Br4 Hg4 N2 -","2","0.333333","","Brodersen, K.","Die Struktur von Hg2 N H Br2","Acta Crystallographica (1,1948-23,1967)","1955","8","","723","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310844","3.798","","3.798","","3.798","","90","","90","","90","","54.785","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ti O F2","","- F2 O Ti -","- F2.01 O0.99 Ti -","- F2.01 O0.99 Ti -","1","0.0208333","","Vorres, K.; Donohue, J.","The structure of titanium oxydifluoride","Acta Crystallographica (1,1948-23,1967)","1955","8","","25","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310845","7.54","","7.54","","8.22","","90","","117.2","","120","","343.746","","","","","","","","","","","","","4","P -1","-P 1","2","","Zn Mn3 O7 (H2 O)3","","- H6 Mn3 O10 Zn -","- Mn3 O10 Zn -","- Mn6 O20 Zn2 -","2","1","","Wadsley, A.D.","The crystal structure of chalcophanite, Zn Mn3 O7 (H2 O)3","Acta Crystallographica (1,1948-23,1967)","1955","8","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310846","10.08","","3.61","","15.44","","90","","109.6","","90","","529.288","","","","","","","","","","","","","3","A 1 2/m 1","-A 2y","12","","Na V6 O15","","- Na O15 V6 -","- Na O15 V6 -","- Na2 O30 V12 -","2","0.25","","Wadsley, A.D.","The crystal structure of Na2-x V6 O15","Acta Crystallographica (1,1948-23,1967)","1955","8","","695","701","","","","","","","","","","","","","","","","","","","","","","has coordinates","206168","2020-10-21","18:00:00",""
"2310854","7.352","","7.352","","7.235","","90","","90","","120","","338.673","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K (As F6)","","- As F6 K -","- As F6 K -","- As3 F18 K3 -","3","0.166667","","Roof, R.B.jr.","The crystal structure of K As F6","Acta Crystallographica (1,1948-23,1967)","1955","8","","739","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310855","10.82","","5.23","","3.57","","90","","90","","90","","202.021","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","H N C O","","- C H N O -","- C H N O -","- C4 H4 N4 O4 -","4","0.5","","von Dohlen, W. C.; Carpenter, G. B.","The crystal structure of isocyanic acid","Acta Crystallographica (1,1948-23,1967)","1955","8","10","646","651","10.1107/S0365110X55002016","","","","","","","","","","","","","","","","","","","","","has coordinates","189479","2020-10-21","18:00:00",""
"2310904","7.509","","7.509","","7.509","","90","","90","","90","","423.396","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 U -","- Ir2 U -","- Ir16 U8 -","8","0.0416667","","Hael, T.J.; Williams, G.I.","Compounds of uranium with the transition metals of the second and third long period","Acta Crystallographica (1,1948-23,1967)","1955","8","","494","498","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311049","17.01","","4.74","","9.07","","90","","90","","90","","731.291","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","(Cr9 Mo21 Ni20)1.12","","- Cr10.08 Mo23.52 Ni22.4 -","- Cr10.08 Mo23.52 Ni22.4 -","- Cr10.08 Mo23.52 Ni22.4 -","1","0.125","","Shoemaker, C.B.; Shoemaker, D.P.","A variation on the sigma-phase structure: the crystal structure of the P phase, Mo - Ni - Cr","Acta Crystallographica (1,1948-23,1967)","1955","8","","734","735","","","","","","","","","","","","","","","","","","","","","","has coordinates","172171","2020-10-21","18:00:00",""
"5000026","12.52","","5.03","","12.18","","90","","108.8","","90","","726.121","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Jensen, L. H.","The crystal structure of creatine monohydrate","Acta Crystallographica","1955","8","4","237","240","10.1107/S0365110X55000789","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""