# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-14T12:05:34+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 'Scientific Reports') AND volume = 5 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
"1529492","9.78698","0.00045","9.78698","0.00045","9.33739","0.00048","90","","90","","120","","774.56","0.06","300","","300","","","","","","","","","4","P 6/m c c","-P 6 2c","192","","","","- Al4 Mg2 O18 Si5 -","- Al4 Mg2 O18 Si5 -","- Al8 Mg4 O36 Si10 -","2","0.0833333","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.38","3.529","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529493","9.79306","0.00041","9.79306","0.00041","9.33885","0.00046","90","","90","","120","","775.64","0.06","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al8.33 K0.34 Mg4 O36 Si9.67 -","- Al8.34 K0.34 Mg4 O36 Si9.66 -","- Al8.34 K0.34 Mg4 O36 Si9.66 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.63","2.651","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529494","9.79423","0.00048","9.79423","0.00048","9.34129","0.00051","90","","90","","120","","776.03","0.07","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al8.51 K0.52 Mg4 O36 Si9.49 -","- Al8.52 K0.52 Mg4 O36 Si9.48 -","- Al8.52 K0.52 Mg4 O36 Si9.48 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.88","2.676","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529495","9.79964","0.00049","9.79964","0.00049","9.36376","0.00055","90","","90","","120","","778.76","0.07","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al9 K Mg4 O36 Si9 -","- Al9 K Mg4 O36 Si9 -","- Al9 K Mg4 O36 Si9 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.35","2.903","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529496","9.79552","0.00026","9.79552","0.00026","9.37418","0.00032","90","","90","","120","","778.97","0.04","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al9.02 Mg4 O36 Rb0.99 Si8.98 -","- Al9.01152 Mg4 O36 Rb0.9884 Si8.98848 -","- Al9.01152 Mg4 O36 Rb0.9884 Si8.98848 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.854","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529497","9.79723","0.00044","9.79723","0.00044","9.34351","0.00054","90","","90","","120","","776.69","0.07","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al8.51 Mg4 O36 Rb0.52 Si9.49 -","- Al8.52 Mg4 O36 Rb0.52 Si9.48 -","- Al8.52 Mg4 O36 Rb0.52 Si9.48 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.78","2.395","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529498","9.79795","0.0004","9.79795","0.0004","9.3637","0.00051","90","","90","","120","","778.48","0.06","300","","300","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- Al9 Mg4 O36 Rb Si9 -","- Al9 Mg4 O36 Rb Si9 -","- Al9 Mg4 O36 Rb Si9 -","1","0.0416667","","Jun Zhou; Zhiguo Xia; Mingyue Chen; Maxim S. Molokeev; Quanlin Liu","New Insight into Phase Formation of MxMg2Al4+xSi5-xO18:Eu2+ Solid Solution Phosphors and Its Luminescence Properties","Scientific Reports","2015","5","0","12149","12153","10.1038/srep12149","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.57","2.786","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1548471","12.343","0.0004","9.5901","0.0003","8.4468","0.0003","90","","90","","90","","999.85","0.06","","","4","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.742","","","","has coordinates","204315","2020-10-21","18:00:00",""
"1548472","12.3636","0.0005","9.5974","0.0004","8.4596","0.0003","90","","90","","90","","1003.8","0.07","","","130","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.591","","","","has coordinates","204316","2020-10-21","18:00:00",""
"1548473","12.4081","0.0005","9.6132","0.0004","8.4859","0.0004","90","","90","","90","","1012.21","0.08","","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba3 Br Fe S4 -","- Ba3 Br Fe S4 -","- Ba12 Br4 Fe4 S16 -","4","0.5","","Xian Zhang; Kai Liu; Jian-Qiao He; Hui Wu; Qing-Zhen Huang; Jian-Hua Lin; Zhong-Yi Lu; Fu-Qiang Huang","Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange","Scientific Reports","2015","5","","15910","","10.1038/srep15910","powder diffraction","neutron","1.5398","","","","","","","","","","","","","","1.387","","","","has coordinates","204317","2020-10-21","18:00:00",""
"1548523","9.199","0.004","9.202","0.004","9.295","0.004","87.525","0.008","79.027","0.008","87.884","0.007","771.4","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 Al3 F N O12.5 P3 -","- C4 H12 Al3 F N O12.5 P3 -","- C8 H24 Al6 F2 N2 O25 P6 -","2","1","","Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan","Origin of the structure-directing effect resulting in identical topological open-framework materials","Scientific Reports","2015","5","","14940","","10.1038/srep14940","","","0.71073","MoKα","","0.0641","0.0537","","","0.1595","0.1853","","","","","","1.116","","","","has coordinates","204442","2020-10-21","18:00:00",""
"1548524","9.1231","0.0014","9.2411","0.0014","9.3426","0.0015","86.769","0.004","79.946","0.004","87.846","0.004","774","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C3 H12 Al3 F N O13 P3 -","- C3 H10 Al3 F N O13 P3 -","- C6 H20 Al6 F2 N2 O26 P6 -","2","1","","Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan","Origin of the structure-directing effect resulting in identical topological open-framework materials","Scientific Reports","2015","5","","14940","","10.1038/srep14940","","","0.71073","MoKα","","0.0933","0.056","","","0.1298","0.1453","","","","","","0.96","","","","has coordinates","204443","2020-10-21","18:00:00",""
"1548525","9.18","0.0008","9.1957","0.0008","9.3606","0.0008","86.532","0.002","78.192","0.002","87.739","0.002","771.76","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H12.5 Al3 F N O12.25 P3 -","- C5 H12 Al3 F N O12.25 P3 -","- C10 H24 Al6 F2 N2 O24.5 P6 -","2","1","","Liang Xin; Huai Sun; Ruren Xu; Wenfu Yan","Origin of the structure-directing effect resulting in identical topological open-framework materials","Scientific Reports","2015","5","","14940","","10.1038/srep14940","","","0.71073","MoKα","","0.0675","0.0493","","","0.1152","0.1232","","","","","","1.037","","","","has coordinates","204444","2020-10-21","18:00:00",""