# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T04:42:21+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 'Acta Crystallographica B (39,1983-)') 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
"1008322","9.866","0.003","9.866","0.003","2.872","0.001","90","","90","","90","","279.6","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Potassium manganese oxide (1.33/8/16)","","- K1.33 Mn8 O16 -","- K1.3332 Mn8 O16 -","- K1.3332 Mn8 O16 -","1","0.0625","","Vicat, J; Fanchon, E; Strobel, P; Tran Qui, D","The Structure of K~1.33~ Mn~8~ O~16~ and Cation Ordering in Hollandite- Type Structures","Acta Crystallographica B (39,1983-)","1986","42","","162","167","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100081","5.911","0.001","5.911","0.001","5.911","0.001","96.25","0.02","96.25","0.02","96.25","0.02","202.6","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Magnesium sulfite hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H12 Mg O9 S -","1","0.333333","","Bats, J W; Fuess, H; Elerman, Y","Deformation density in magnesium sulfite hexahydrate.","Acta Crystallographica B (39,1983-)","1986","42","","552","557","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100082","5.911","0.001","5.911","0.001","5.911","0.001","96.25","0.02","96.25","0.02","96.25","0.02","202.6","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Magnesium sulfite hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H12 Mg O9 S -","1","0.333333","","Bats, J. W.; Fuess, H.; Elerman, Y.","Deformation density in magnesium sulfite hexahydrate","Acta Crystallographica B (39,1983-)","1986","42","6","552","557","10.1107/S0108768186097719","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","188424","2020-10-21","18:00:00",""
"1100083","5.911","0.001","5.911","0.001","5.911","0.001","96.25","0.02","96.25","0.02","96.25","0.02","202.6","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Magnesium sulfite hexahydrate","","- H12 Mg O9 S -","- H12 Mg O9 S -","- H12 Mg O9 S -","1","0.333333","","Bats, J. W.; Fuess, H.; Elerman, Y.","Deformation density in magnesium sulfite hexahydrate","Acta Crystallographica B (39,1983-)","1986","42","6","552","557","10.1107/S0108768186097719","","","","","","0.017","","","","","","","","","","","","","","","has coordinates","188422","2020-10-21","18:00:00",""
"2106074","9.326","","10.925","","9.276","","90","","106.5","","90","","906.18","","","","","","","","","","","","","4","I 1 2/m 1","-I 2y","12","","Ag3 (P3 O9) (H2 O)","","- Ag3 H2 O10 P3 -","- Ag3 O10 P3 -","- Ag12 O40 P12 -","4","0.5","","Baur, W.H.; Tillmanns, E.","How to avoid unneccessarily low symmetry in crystal structure determinations","Acta Crystallographica B (39,1983-)","1986","42","","95","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106075","11.192","","11.192","","28.36","","90","","90","","120","","3076.47","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Ca (S O3) (H2 O)4","","- Ca H8 O7 S -","- Ca O7 S -","- Ca18 O126 S18 -","18","0.5","","Baur, W.H.; Tillmanns, E.","How to avoid unneccessarily low symmetry in crystal structure determinations","Acta Crystallographica B (39,1983-)","1986","42","","95","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9007674","6.955","","6.142","","11.218","","90","","90","","90","","479.206","","","","","","","","","","","","","5","P m n 21","P 2ac -2","31","","","Struvite","- H16 Mg N O10 P -","- H16 Mg N O10 P -","- H32 Mg2 N2 O20 P2 -","2","0.5","","Ferraris, G.; Fuess, H.; Joswig, W.","Neutron diffraction study of MgNH4PO4*6H2O (struvite) and survey of water molecules donating short hydrogen bonds","Acta Crystallographica, Section B","1986","42","3","253","258","10.1107/S0108768186098269","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9007675","7.0187","","7.035","","6.3472","","92.49","","101.46","","119.76","","262.901","","","","","","","","","","","","Synthetic","3","P -1","-P 1","2","","","Sassolite","- B H3 O3 -","- B H3 O3 -","- B4 H12 O12 -","4","2","","Gajhede, M.; Larsen, S.; Rettrup, S.","Electron density of orthoboric acid determined by X-ray diffraction at 105 K and ab initio calculations Note: multipole refinement","Acta Crystallographica, Section B","1986","42","6","545","552","10.1107/S0108768186097720","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011242","6.17","","8.171","","5.648","","90","","116.24","","90","","255.401","","","","","","","","","","","","Synthetic","4","P 1 21/a 1","-P 2yab","14","","","Juangodoyite","- C2 Cu Na2 O6 -","- C2 Cu Na2 O6 -","- C4 Cu2 Na4 O12 -","2","0.5","","Maslen, E. N.; Spadaccini, N.; Watson, K. J.","Electron density in non-ideal metal complexes. II. Sodium bis(carbonato)cuprate(II)","Acta Crystallographica, Section B","1986","42","5","430","436","10.1107/S0108768186097926","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9014162","5.707","","5.707","","8.064","","90","","90","","90","","262.643","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","","- O3 Sn Sr -","- O3 Sn Sr -","- O12 Sn4 Sr4 -","4","0.5","","Vegas, A.; Vallet-Regi M; Gonzalez-Calbet J M; Alario-Franco M A","The ASnO3 (A = Ca, Sr) perovskites","Acta Crystallographica, Section B","1986","42","2","167","172","10.1107/S0108768186098403","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9015404","5.532","","5.681","","7.906","","90","","90","","90","","248.464","","","","","","","","","","","","Synthetic","3","P b n m","-P 2c 2ab","62","","","Megawite","- Ca O3 Sn -","- Ca O3 Sn -","- Ca4 O12 Sn4 -","4","0.5","","Vegas, A.; Vallet-Regi, M.; Gonzalez-Calbet, J. M.; Alario-Franco, M. A.","The ASnO3 (A = Ca, Sr) perovskites","Acta Crystallographica, Section B","1986","42","2","167","172","10.1107/S0108768186098403","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""