# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-10T16:22:06+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 = 2 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
"2310012","4.28","","4.28","","7.41","","90","","90","","90","","135.739","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Actinium oxide bromide","","- Ac Br O -","- Ac Br O -","- Ac2 Br2 O2 -","2","0.125","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XII. New compounds representing known structure types","Acta Crystallographica (1,1948-23,1967)","1949","2","","388","390","10.1107/S0365110X49001016","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310014","4.25","","4.25","","7.08","","90","","90","","90","","127.883","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Actinium oxide chloride","","- Ac Cl O -","- Ac Cl O -","- Ac2 Cl2 O2 -","2","0.125","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XII. New compounds representing known structure types","Acta Crystallographica (1,1948-23,1967)","1949","2","","388","390","10.1107/S0365110X49001016","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310016","5.943","","5.943","","5.943","","90","","90","","90","","209.902","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Actinium oxide fluoride","","- Ac F O -","- Ac F O -","- Ac4 F4 O4 -","4","0.0208333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements XII. New compounds representing known structure types","Acta Crystallographica (1,1948-23,1967)","1949","2","","388","390","10.1107/S0365110X49001016","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310017","8.99","","8.99","","8.99","","90","","90","","90","","726.573","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Actinium sulfide (10.67/16)","","- Ac10.666 S15.999 -","- Ac10.668 S16 -","- Ac10.668 S16 -","1","0.0208333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. VI. The Ce2 S3 - Ce3 S4 type of structure","Acta Crystallographica (1,1948-23,1967)","1949","2","","57","60","10.1107/S0365110X49000126","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310018","4.08","","4.08","","6.3","","90","","90","","120","","90.822","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Actinium oxide","","- Ac2 O3 -","- Ac2 O3 -","- Ac2 O3 -","1","0.0833333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XII. New compounds representing known structure types","Acta Crystallographica (1,1948-23,1967)","1949","2","","388","390","10.1107/S0365110X49001016","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310063","13.19","","13.74","","4.57","","90","","90","","90","","828.224","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 Ag Cl3","","- Ag Cl3 Cs2 -","- Ag Cl3 Cs2 -","- Ag4 Cl12 Cs8 -","4","0.5","","Brink, C.","The Crystal Structure of K2 Cu Cl3 and Isomorphous Substances","Acta Crystallographica (1,1948-23,1967)","1949","2","","158","163","10.1107/S0365110X49000436","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310064","14.39","","15.16","","5.02","","90","","90","","90","","1095.12","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 Ag I3","","- Ag Cs2 I3 -","- Ag Cs2 I3 -","- Ag4 Cs8 I12 -","4","0.5","","Brink, C.","The Crystal Structure of K2 Cu Cl3 and Isomorphous Substances","Acta Crystallographica (1,1948-23,1967)","1949","2","","158","163","10.1107/S0365110X49000436","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310849","9.89","","17.95","","5.31","","90","","72.5","","90","","899.031","","","","","","","","","","","","","9","I 1 2/m 1","-I 2y","12","","(Na1.38 K0.13 Ca0.17 Mg0.25) (Mg2.81 Fe1.66 Fe0.48 Al0.05) (Si7.94 Al0.06) O22 (O H)2","","- Al0.11 Ca0.17 Fe2.14 H2 K0.13 Mg3.06 Na1.38 O24 Si7.94 -","- Al0.096 Ca0.17 Fe2.14 K0.13 Mg3.07 Na1.38 O24 Si7.944 -","- Al0.192 Ca0.34 Fe4.28 K0.26 Mg6.14 Na2.76 O48 Si15.888 -","2","0.25","","Whittaker, E. J. W.","The structure of bolivian crocidolite","Acta Crystallographica","1949","2","5","312","317","10.1107/s0365110x49000801","","","","","","","","","","","","","","","","","","","","","has coordinates","209177","2020-10-21","18:00:00",""
"2310959","4.99","","4.99","","3.23","","90","","90","","120","","69.652","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Hg2 U -","- Hg2 U -","- Hg2 U -","1","0.0416667","","Rundle, R. E.; Wilson, A. S.","The structures of some metal compounds of uranium","Acta Crystallographica","1949","2","3","148","150","10.1107/s0365110x49000400","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310990","3.927","","3.927","","6.789","","90","","90","","120","","97.293","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Pu2 O2 S","","- O2 Pu2 S -","- O2 Pu2 S -","- O2 Pu2 S -","1","0.0833333","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. VII. The crystal structure of Ce~2~O~2~S, La~2~O~2~S and Pu~2~O~2~S","Acta Crystallographica","1949","2","1","60","62","10.1107/S0365110X49000138","","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","181984","2020-10-21","18:00:00",""
"2310991","10.411","","10.651","","3.888","","90","","90","","90","","431.131","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Th2 S3","","- S3 Th2 -","- S3 Th2 -","- S12 Th8 -","4","0.5","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. X. Sulfides and oxy-sulfides","Acta Crystallographica","1949","2","5","291","296","10.1107/s0365110x49000758","","","","","","","","","","","","","","","","","","","","","has coordinates","181515","2020-10-21","18:00:00",""
"2310992","10.99","","3.96","","10.85","","90","","90","","90","","472.196","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Th2 S3","","- S3 Th2 -","- S3 Th2 -","- S12 Th8 -","4","0.5","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. X. Sulfides and oxy-sulfides","Acta Crystallographica","1949","2","5","291","296","10.1107/s0365110x49000758","","","","","","","","","","","","","","","","","","","","","has coordinates","181516","2020-10-21","18:00:00",""
"2310993","10.41","","3.89","","10.65","","90","","90","","90","","431.271","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","U2 S3","","- S3 U2 -","- S3 U2 -","- S12 U8 -","4","0.5","","Zachariasen, W. H.","Crystal chemical studies of the 5f-series of elements. X. Sulfides and oxy-sulfides","Acta Crystallographica","1949","2","5","291","296","10.1107/s0365110x49000758","","","","","","","","","","","","","","","","","","","","","has coordinates","181516","2020-10-21","18:00:00",""
"2311000","10.395","","10.395","","10.395","","90","","90","","90","","1123.24","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 Th -","- Be13 Th -","- Be104 Th8 -","8","0.0416667","","Baenziger, N.C.; Rundle, R.E.","The M Be13 compounds","Acta Crystallographica (1,1948-23,1967)","1949","2","","258","258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311001","10.256","","10.256","","10.256","","90","","90","","90","","1078.78","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","","","- Be13 U -","- Be13 U -","- Be104 U8 -","8","0.0416667","","Baenziger, N.C.; Rundle, R.E.","The M Be13 compounds","Acta Crystallographica (1,1948-23,1967)","1949","2","","258","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311069","8.473","","8.473","","7.468","","90","","90","","90","","536.141","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","Th Cl4","","- Cl4 Th -","- Cl4 Th -","- Cl16 Th4 -","4","0.125","","Mooney, R.C.L.","The crystal structure of Th Cl4 and U Cl4","Acta Crystallographica (1,1948-23,1967)","1949","2","","189","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311070","8.296","","8.296","","7.487","","90","","90","","90","","515.282","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","U Cl4","","- Cl4 U -","- Cl4 U -","- Cl16 U4 -","4","0.125","","Mooney, R.C.L.","The crystal structure of Th Cl4 and U Cl4","Acta Crystallographica (1,1948-23,1967)","1949","2","","189","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5900029","4.6","","14.19","","15.68","","90","","90.8","","90","","1023.4","","","","","","","","","","","","","4","P 1 21/c 1","","14","","Hexamethylendiamonium dichlorid","","- C6 H18 Cl2 N2 -","- C6 Cl2 N2 -","- C24 Cl8 N8 -","4","1","","Binnie, W. P.; Robertson, J. M.","The crystal structure of hexamethylenediamine dihydrochloride","Acta Crystallographica","1949","2","3","180","188","10.1107/S0365110X49000473","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900030","4.68","","14.53","","16.21","","90","","91","","90","","1102.12","","","","","","","","","","","","","4","P 1 21/c 1","","14","","Hexamethylendiamonium dihydrogen bromide","","- C6 H18 Br2 N2 -","- C6 Br2 N2 -","- C24 Br8 N8 -","4","1","","Binnie, W. P.; Robertson, J. M.","The crystal structure of hexamethylenediamine and its dihalides. Hexamethylenediamine dihydrobromide","Acta Crystallographica","1949","2","2","116","120","10.1107/S0365110X49000266","","","","","","","","","","","","","","","","","","","","","has coordinates","285099","2023-07-08","12:50:07",""
"9007426","6.01","","9.13","","6.84","","90","","90","","90","","375.32","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","","Atacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","4","0.5","","Wells, A. F.","The crystal structure of atacamite and the crystal chemistry of cupric compounds","Acta Crystallographica","1949","2","","175","180","10.1107/S0365110X49000461","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""