# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T10:37:36+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, Section C') AND volume = 42 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
"1001337","7.63","0.002","10.923","0.002","13.609","0.003","90","","90","","90","","1134.2","","","","","","","","","","","","","6","A m a m","-A 2 2a","63","","Caesium potassium niobium titanium uranium oxide (.75/.25/1/1/2/11)","","- Cs0.75 K0.25 Nb O11 Ti U2 -","- Cs0.75 K0.25 Nb O11 Ti U2 -","- Cs3 K Nb4 O44 Ti4 U8 -","4","0.25","","Gasperin, M","(Cs~.75~ K~.25~) (Nb, Ti) U~2~ O~11~: un Niobotitanouranate Alcalin de Type Sructural Nouveau","Acta Crystallographica C (39,1983-)","1986","42","","136","138","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007150","6.644","0.003","7.365","0.004","8.618","0.004","101.62","0.05","109.98","0.05","95.65","0.05","381.7","","","","","","","","","","","","","4","P -1","-P 1","2","","Distrontium tetrametaphosphate hexahydrate","","- H12 O18 P4 Sr2 -","- H12 O18 P4 Sr2 -","- H12 O18 P4 Sr2 -","1","0.5","","Durif, A; Averbuch-Pouchot, M T","Structure of strontium tetrametaphosphate hexahydrate","Acta Crystallographica C (39,1983-)","1986","42","","927","928","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1007151","11.164","0.006","12.46","0.01","5.622","0.002","90","","90","","90","","782","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Mercury potassium trimetaphosphate","","- Hg K O9 P3 -","- Hg K O9 P3 -","- Hg4 K4 O36 P12 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of mercury potassium trimetaphosphate","Acta Crystallographica C (39,1983-)","1986","42","","930","931","","","","","","","0.042","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007152","17.073","0.008","17.029","0.008","13.554","0.006","90","","127.32","0.01","90","","3133.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetralithium cyclo-tetraphosphate pentahydrate","","- H10 Li4 O17 P4 -","- H10 Li4 O17 P4 -","- H80 Li32 O136 P32 -","8","1","","Averbuch-Pouchot, M T; Durif, A","Structure of Tetralithium Tetrametaphosphate Pentahydrate","Acta Crystallographica C (39,1983-)","1986","42","","129","131","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","200452","2020-10-21","18:00:00",""
"1007159","17.073","0.008","17.029","0.008","13.554","0.006","90","","127.32","0.01","90","","3133.8","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetralithium cyclo-tetraphosphate pentahydrate","","- H10 Li4 O17 P4 -","- H10 Li4 O17 P4 -","- H80 Li32 O136 P32 -","8","1","","Averbuch-Pouchot, M T; Durif, A","Structure of tetralithium tetrametaphosphate pentahydrate.","Acta Crystallographica C (39,1983-)","1986","42","","129","131","","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007166","9.466","0.005","9.466","0.005","21.933","0.003","90","","90","","90","","1965.3","","","","","","","","","","","","","4","P 41","P 4w","76","","Tetracaesium cyclo-tetraphosphate tetrahydrate","","- Cs4 H8 O16 P4 -","- Cs4 H8 O16 P4 -","- Cs16 H32 O64 P16 -","4","1","","Averbuch-Pouchot, M T; Durif, A","Structure of tetracaesium tetrametaphosphate tetrahydrate.","Acta Crystallographica C (39,1983-)","1986","42","","131","133","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007248","11.549","0.005","11.549","0.005","9.114","0.005","90","","90","","120","","1052.8","","","","","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","Barium tetracaesium hexakis(phosphate(V))","","- Ba Cs4 O18 P6 -","- Ba Cs4 O18 P6 -","- Ba2 Cs8 O36 P12 -","2","0.333333","","Averbuch-Pouchot, M T; Durif, A","Structure of monobarium tetracaesium polyphosphate","Acta Crystallographica C (39,1983-)","1986","42","","928","930","","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007261","13.524","0.008","8.362","0.005","14.39","0.008","90","","92.58","0.05","90","","1625.7","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Diammonium disodium mercury bis(triphosphate(V))","","- H8 Hg N2 Na2 O18 P6 -","- H12 Hg0.9999 N2 Na2.0001 O18 P6 -","- H48 Hg3.9996 N8 Na8.0004 O72 P24 -","4","0.5","","Averbuch-Pouchot, M T; Durif, A","Structure of diammonium disodium mercury(II) trimetaphosphate","Acta Crystallographica C (39,1983-)","1986","42","","932","933","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2018858","10.166","","7.575","","8.479","","90","","91.27","","90","","652.786","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ag2 Li (N O2)3","","- Ag2 Li N3 O6 -","- Ag2 Li N3 O6 -","- Ag8 Li4 N12 O24 -","4","0.5","","Ishihara, M.; Saito, Y.; Matsumoto, F.; Ohba, S.","Structures of mercury(I) nitrite and lithium disilver trinitrite","Acta Crystallographica C (39,1983-)","1986","42","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018863","5.34","","11.997","","10.16","","90","","99.51","","90","","641.945","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","(S5 N5) (Au Cl4)","","- Au Cl4 N5 S5 -","- Au Cl4 N5 S5 -","- Au2 Cl8 N10 S10 -","2","0.5","","Dehnicke, K.; Ruangsuttinarupap, S.; Willing, W.; Mueller, U.","Cyclopentaazathienium-tetrachloroaurat","Acta Crystallographica C (39,1983-)","1986","42","","1263","1264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018883","7.461","","7.461","","14.804","","90","","90","","90","","824.087","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","Er Rh4 B4","","- B4 Er Rh4 -","- B4 Er Rh4 -","- B32 Er8 Rh32 -","8","0.25","","Muto, Y.; Iwasaki, H.; Watanabe, Y.","Structure of the body-centered tetragonal ErRh4B4","Acta Crystallographica C (39,1983-)","1986","42","","1469","1472","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020031","25.847","","25.847","","8.771","","90","","90","","120","","5074.58","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Re25 Zr21 -","- Re25 Zr21 -","- Re150 Zr126 -","6","0.166667","","Cenzual, K.; Parthe, E.; Waterstrat, R.M.","Zr21 Re25, a new rhombohedral structure type containing 1.2 nm thick infinite Mg Zn2 (Laves) phases","Acta Crystallographica C (39,1983-)","1986","42","","261","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020032","7.9306","","7.9306","","17.701","","90","","90","","120","","964.141","","","","","","","","","","","","","2","P 61 2 2","P 61 2 (0 0 5)","178","","","","- Ir3 Zr5 -","- Ir3 Zr5 -","- Ir18 Zr30 -","6","0.5","","Cenzual, K.; Parthe, E.","Zr5 Ir3 with a deformation superstructure of the Mn5 Si3 structure","Acta Crystallographica C (39,1983-)","1986","42","","1101","1105","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020035","22.344","","22.344","","22.344","","90","","90","","90","","11155.3","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Gd9.08 Mg45.9 -","- Gd9.08 Mg45.9 -","- Gd72.64 Mg367.2 -","8","0.0833333","","Fornasini, M.L.; Manfrinetti, P.; Gschneidner, K.A.jr.","Gd Mg5: a complex structure with a large cubic cell","Acta Crystallographica C (39,1983-)","1986","42","","138","141","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2020181","7.46","","10.274","","6.343","","90","","110.8","","90","","454.468","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","H2 N N C (N H N H2)2","","- C H8 N6 -","- C H8 N6 -","- C4 H32 N24 -","4","1","","Bracuti, A.J.","Structure of 1,2,3-Triaminoguanidine (TAG)","Acta Crystallographica C (39,1983-)","1986","42","","1887","1889","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000110","14.666","0.002","5.324","0.007","9.606","0.003","90","","94.06","0.03","90","","748.17","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H13 N O2 -","- C6 H13 N O2 -","- C24 H52 N4 O8 -","4","2","","Coll, M.; Solans, X.; Font-Altaba, M.; Subirana, J. A.","Structure of L-leucine: a redetermination","Acta Crystallographica Section C","1986","42","5","599","601","10.1107/S0108270186095240","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9007712","4.6117","","4.6117","","14.735","","90","","90","","120","","271.396","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Gaspeite","- C Ni O3 -","- C Ni O3 -","- C6 Ni6 O18 -","6","0.166667","","Pertlik, F.","Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II) carbonate Locality: synthetic","Acta Crystallographica, Section C","1986","42","","4","5","10.1107/S0108270186097524","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007713","4.6618","","4.6618","","14.963","","90","","90","","120","","281.616","","","","","","","","","","","","Synthetic","3","R -3 c :H","-R 3 2""c","167","","","Spherocobaltite","- C Co O3 -","- C Co O3 -","- C6 Co6 O18 -","6","0.166667","","Pertlik, F.","Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II) carbonate Locality: synthetic","Acta Crystallographica, Section C","1986","42","","4","5","10.1107/S0108270186097524","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007714","5.781","","5.781","","10.06","","90","","90","","120","","291.162","","","","","","","","","","","","Kamioka mine, Gifu Prefecture, Japan","3","P 63 m c","P 6c -2c","186","","","Kamiokite","- Fe2 Mo3 O8 -","- Fe2 Mo3 O8 -","- Fe4 Mo6 O16 -","2","0.166667","","Kanazawa, Y.; Sasaki, A.","Structure of kamiokite Note: anisoB's taken from ICSD","Acta Crystallographica, Section C","1986","42","","9","11","10.1107/S0108270186097500","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007715","7.8759","","7.8758","","3.9545","","90","","90","","120","","212.431","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","Antarcticite","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","- Ca Cl2 H12 O6 -","1","0.166667","","Agron, P. A.; Busing, W. R.","Calcium and strontium dichloride hexahydrates by neutron diffraction","Acta Crystallographica, Section C","1986","42","","141","143","10.1107/S0108270186097007","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007716","7.9596","","7.9596","","4.1243","","90","","90","","120","","226.289","","","","","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Cl2 H12 O6 Sr -","- Cl2 H12 O6 Sr -","- Cl2 H12 O6 Sr -","1","0.166667","","Agron, P. A.; Busing, W. R.","Calcium and strontium dichloride hexahydrates by neutron diffraction","Acta Crystallographica, Section C","1986","42","","141","143","10.1107/S0108270186097007","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007717","10.464","","10.464","","13.168","","90","","90","","120","","1248.67","","","","","","","","","","","","synthetic low-temperature form","4","P 31 2 1","P 31 2""","152","","","Combeite","- Ca2 Na2 O9 Si3 -","- Ca2 Na2 O9 Si3 -","- Ca12 Na12 O54 Si18 -","6","1","","Ohsato, H.; Takeuchi, Y.; Maki, I.","Structure of Na4Ca4[Si6O18]","Acta Crystallographica, Section C","1986","42","","934","937","10.1107/S0108270186093940","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007718","6.03","","6.865","","9.12","","90","","90","","90","","377.531","","","","","","","","","","","","Mina La Farola, Chile","4","P n m a","-P 2ac 2n","62","","","Atacamite","- Cl Cu2 H3 O3 -","- Cl Cu2 H3 O3 -","- Cl4 Cu8 H12 O12 -","4","0.5","","Parise, J. B.; Hyde, B. G.","The structure of atacamite and its relationship to spinel","Acta Crystallographica, Section C","1986","42","","1277","1280","10.1107/S0108270186092570","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9017340","21.344","","26.494","","4.002","","90","","90","","90","","2263.08","","","","","","","","","","","","Synthetic","4","P b a m","-P 2 2ab","55","","","Znamenskyite","- Bi4 In2 Pb4 S13 -","- Bi16 In8 Pb16 S52 -","- Bi16 In8 Pb16 S52 -","","","","Kramer, V.","Lead indium bismuth chalcogenides. III. Structure of Pb4In2Bi4S13","Acta Crystallographica, Section C","1986","42","","1089","1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:55",""