# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-15T16:22:27+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 'Phosphorus, Sulfur, Silicon and Related Elements') 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
"1510746","10.616","","5.3181","","12.382","","90","","109.96","","90","","657.059","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Li2 (B2 Se3 (Se2))","","- B2 Li2 Se5 -","- B2 Li2 Se5 -","- B8 Li8 Se20 -","4","0.5","","Koester, C.; Doech, M.; Kuchinke, J.; Krebs, B.; Lindemann, A.; Pruss, T.; Hammerschmidt, A.","The first perselenoborate with a novel three-dimensional anion network","Phosphorus, Sulfur, Silicon and Related Elements","2001","169","","169","172","10.1080/10426500108546617","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510923","15.52","","15.52","","8.424","","90","","90","","120","","1757.24","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","K3 (B3 S6)","","- B3 K3 S6 -","- B3 K3 S6 -","- B18 K18 S36 -","6","0.166667","","Diercks, H.; Krebs, B.; Puettmann, C.","Synthesis, crystal structures and properties of M3 B3 S6 (M=Na,K,Rb) and Li Sr B3 S6","Phosphorus, Sulfur, Silicon and Related Elements","1992","65","","1","4","10.1080/10426509208055305","","","","","","","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1510927","14.933","","8.703","","7.866","","90","","116.76","","90","","912.794","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Li Sr (B3 S6)","","- B3 Li S6 Sr -","- B3 Li S6 Sr -","- B12 Li4 S24 Sr4 -","4","1","","Diercks, H.; Puettmann, C.; Krebs, B.","Synthesis, crystal structures and properties of M3 B3 S6 (M= Na, K, Rb) and Li Sr B3 S6","Phosphorus, Sulfur, Silicon and Related Elements","1992","65","","1","4","10.1080/10426509208055305","","","","","","","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1510938","15.118","","15.118","","7.512","","90","","90","","120","","1486.88","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Na3 (B3 S6)","","- B3 Na3 S6 -","- B3 Na3 S6 -","- B18 Na18 S36 -","6","0.166667","","Puettmann, C.; Diercks, H.; Krebs, B.","Synthesis, crystal structures and properties of M3 B3 S6 (M=Na,K,Rb) and Li Sr B3 S6","Phosphorus, Sulfur, Silicon and Related Elements","1992","65","","1","4","10.1080/10426509208055305","","","","","","","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1510950","15.813","","15.813","","8.804","","90","","90","","120","","1906.51","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Rb3 (B3 S6)","","- B3 Rb3 S6 -","- B3 Rb3 S6 -","- B18 Rb18 S36 -","6","0.166667","","Krebs, B.; Diercks, H.; Puettmann, C.","Synthesis, crystal structures and properties of M3 B3 S6 (M=Na,K,Rb) and Li Sr B3 S6","Phosphorus, Sulfur, Silicon and Related Elements","1992","65","","1","4","10.1080/10426509208055305","","","","","","","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511367","10.0285","","10.0285","","27.743","","90","","90","","90","","2790.14","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Li5.16 Cs0.96 (B10 Se18)","","- B10 Cs0.96 Li5.16 Se18 -","- B10 Cs0.958 Li5 Se18 -","- B40 Cs3.832 Li20 Se72 -","4","0.125","","Pruss, T.; Kuchinke, J.; Doech, M.; Krebs, B.; Lindemann, A.; Koester, C.","Li6-x Csx B10 Q18 (Q= S, Se; X<>1): New chalcogenoborates with polymeric layered anion networks","Phosphorus, Sulfur, Silicon and Related Elements","2001","169","","281","284","10.1080/10426500108546643","","","","","","","","","","","","","","","","","","","","","has coordinates","176343","2020-10-21","18:00:00",""
"1511368","9.458","","9.458","","26.507","","90","","90","","90","","2371.15","","","","","","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","Cs Li5 (B10 S18)","","- B10 Cs Li5 S18 -","- B10 Cs0.986 Li4.94 S18 -","- B40 Cs3.944 Li19.76 S72 -","4","0.125","","Kuchinke, J.; Krebs, B.; Pruss, T.; Doech, M.; Lindemann, A.; Koester, C.","Li6-x Csx B10 Q18 (Q= S, Se; X<>1): New chalcogenoborates with polymeric layered anion networks","Phosphorus, Sulfur, Silicon and Related Elements","2001","169","","281","284","10.1080/10426500108546643","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1534424","7.318","","13.092","","9.441","","90","","100.79","","90","","888.524","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","(N H4)2 (H N3 O6 S3)","","- H9 N5 O6 S3 -","- H9 N5 O6 S3 -","- H36 N20 O24 S12 -","4","1","","Rustad, D. S.","The Synthesis and Some Properties of Diammonium Hydrogentrisulfimide (Diammonium 2-Hydrogen,1,3,5,2,4,6-Trithiatriazine,1,1,3,3,5,5-Hexoxide), (NH4)2HN3S3O6, and the X-Ray Structure of the Hydrogentrisulfimide Ion","Phosphorus, Sulfur, Silicon and Related Elements","2003","178","","235","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534894","7.7091","","6.7212","","7.9582","","90","","109.868","","90","","387.806","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca (H P O3) (H2 O)","","- Ca H3 O4 P -","- Ca H3 O4 P -","- Ca4 H12 O16 P4 -","4","1","","Mahmoudkhani, A.H.; Langer, V.","Two-dimensional inorganic networks in the crystal structures of calcium and strontium phosphite monohydrates","Phosphorus, Sulfur, Silicon and Related Elements","2001","176","","83","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534897","7.5906","","7.0502","","8.2156","","90","","108.459","","90","","417.04","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sr (H P O3) (H2 O)","","- H3 O4 P Sr -","- H3 O4 P Sr -","- H12 O16 P4 Sr4 -","4","1","","Mahmoudkhani, A.H.; Langer, V.","Two-dimensional inorganic networks in the crystal structures of calcium and strontium phosphite monohydrates","Phosphorus, Sulfur, Silicon and Related Elements","2001","176","","83","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534940","11.987","","10.72","","15.639","","90","","100.8","","90","","1974.03","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","(Se4 Te3) (W O Cl4)2","","- Cl8 O2 Se4 Te3 W2 -","- Cl8 O2 Se4 Te3 W2 -","- Cl32 O8 Se16 Te12 W8 -","4","1","","Beck, J.; Schloerb, T.","Polymers in the form of linked rings - a novel type of structures for chalcogen polycations. The crystal structures of (Se4.85 Te3.15) (W O Cl4)2 and (Se4 Te3) (W O Cl4)2","Phosphorus, Sulfur, Silicon and Related Elements","1997","124","","125","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","162021","2020-10-21","18:00:00",""
"1534944","7.821","","15.49","","18.247","","90","","90","","90","","2210.57","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Se4.85 Te3.152) (W O Cl4)2","","- Cl8 O2 Se4.85 Te3.152 W2 -","- Cl8 O2 Se4.85 Te3.15 W2 -","- Cl32 O8 Se19.4 Te12.6 W8 -","4","1","","Beck, J.; Schloerb, T.","Polymers in the form of linked rings - a novel type of structures for chalcogen polycations. The crystal structures of (Se4.85 Te3.15) (W O Cl4)2 and (Se4 Te3) (W O Cl4)2","Phosphorus, Sulfur, Silicon and Related Elements","1997","124","","125","305","","","","","","","","","","","","","","","","","","","","","","has coordinates","162026","2020-10-21","18:00:00",""