# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-24T11:48:54+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 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
"1529337","9.83633","0.00033","9.06851","0.0003","5.34709","0.00018","90","","107.09","0.0017","90","","455.9","0.03","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Eu0.12 Na3.88 O24 Sc4 Si8 -","- Ca0 Eu0.12 Mg0 Na3.88 O24 Sc4 Si8 -","- Ca0 Eu0.12 Mg0 Na3.88 O24 Sc4 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","2.47","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529338","9.81825","0.0002","9.04929","0.00019","5.32748","0.0001","90","","106.713","0.0012","90","","453.342","0.016","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca0.68 Eu0.12 Mg0.7 Na3.2 O24 Sc3.3 Si8 -","- Ca0.6748 Eu0.12 Mg0.696 Na3.2052 O24 Sc3.304 Si8 -","- Ca0.6748 Eu0.12 Mg0.696 Na3.2052 O24 Sc3.304 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.973","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529339","9.77208","0.0003","8.97795","0.00029","5.27439","0.00017","90","","106.014","0.0012","90","","444.78","0.02","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca2.94 Eu0.2 Mg3.1 Na0.86 O24 Sc0.9 Si8 -","- Ca2.9444 Eu0.2 Mg3.0992 Na0.8556 O24 Sc0.9008 Si8 -","- Ca2.9444 Eu0.2 Mg3.0992 Na0.8556 O24 Sc0.9008 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.726","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529340","9.79577","0.0002","9.01952","0.00019","5.30306","0.00011","90","","106.359","0.0012","90","","449.574","0.016","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca1.66 Eu0.12 Mg1.71 Na2.22 O24 Sc2.29 Si8 -","- Ca1.658 Eu0.12 Mg1.7092 Na2.222 O24 Sc2.2908 Si8 -","- Ca1.658 Eu0.12 Mg1.7092 Na2.222 O24 Sc2.2908 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.576","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529341","9.78235","0.00044","8.99721","0.00041","5.28777","0.00023","90","","106.133","0.0014","90","","447.07","0.03","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca2.36 Eu0.12 Mg2.44 Na1.52 O24 Sc1.56 Si8 -","- Ca2.3628 Eu0.12 Mg2.4356 Na1.5172 O24 Sc1.5644 Si8 -","- Ca2.3628 Eu0.12 Mg2.4356 Na1.5172 O24 Sc1.5644 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.778","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529342","9.76484","0.00023","8.97439","0.00021","5.26841","0.00012","90","","105.979","0.0011","90","","443.85","0.018","300","","300","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ca3.13 Eu0.12 Mg3.23 Na0.75 O24 Sc0.77 Si8 -","- Ca3.1296 Eu0.12 Mg3.2264 Na0.7504 O24 Sc0.7736 Si8 -","- Ca3.1296 Eu0.12 Mg3.2264 Na0.7504 O24 Sc0.7736 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.659","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529343","9.74888","0.00017","8.9529","0.00016","5.250985","0.000093","90","","105.864","0.00091","90","","440.855","0.014","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ca3.88 Eu0.12 O24 Si8 -","- Ca3.88 Eu0.12 Mg4 Na0 O24 Sc0 Si8 -","- Ca3.88 Eu0.12 Mg4 Na0 O24 Sc0 Si8 -","1","0.125","","Z. Xia; Yu. Zhang; M.S. Molokeev; V.V. Atuchin; Y. Luo","Linear structural evolution induced tunable photoluminescence in clinopyroxene solid-solution phosphors","Scientific Reports","2013","3","3310","1","7","10.1038/srep03310","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","1.455","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"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",""
"1545048","5.6865","0.0004","11.515","0.002","8.2545","0.0007","90","","90","","90","","540.51","0.11","","","","","","","","","","","","4","I m m a","-I 2b 2","74","hydrous wadsleyite","","hydrous wadsleyite","- H0.162 Mg1.8965 O4 Si1.001 -","- H2 Mg1.8965 O4 Si1.001 -","- H16 Mg15.172 O32 Si8.008 -","8","0.5","","Purevjav, N.; Okuchi, T.; Tomioka, N.; Wang, X.; Hoffmann, C.","Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction : Sample at 295 K","Scientific Reports","2016","6","","34988","-","","","","","","","","","","","","","","","","","","","","","","has coordinates","190551","2020-10-21","18:00:00",""
"1545302","2.9","","2.9","","4.88","","90","","90","","120","","35.542","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Hexagonal Gold - Au hcp","","","- Au -","- Au -","- Au2 -","2","0.0833333","","Jany, B. R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K. H. W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F.","Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface","Scientific Reports","2017","7","","42420","","10.1038/srep42420","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","194004","2020-10-21","18:00:00",""
"1545547","7.7299","0.0002","7.7299","0.0002","5.6587","0.0002","90","","90","","90","","338.115","0.017","","","","","","","","","","","","2","P -4 21 c","P -4 2n","114","","","","- Bi2 O3 -","- Bi2 O3 -","- Bi8 O12 -","4","0.5","","Perez-Mezcua, Dulce; Bretos, Inigo; Jimenez, Ricardo; Ricote, Jesus; Jimenez-Rioboo, Rafael J.; Goncalves da Silva, Cosmelina; Chateigner, Daniel; Fuentes-Cobas, Luis; Sirera, Rafael; Calzada, Lourdes M.","Photochemical solution processing of films of metastable phases for flexible devices: the beta-Bi2O3 polymorph","Scientific Reports","2016","6","","39561","39561","10.1038/srep39561","","","","","","","","","","","","","","","","","","","","","has coordinates","194195","2020-10-21","18:00:00",""
"1547276","9.696","0.002","2.8947","0.0006","11.428","0.003","90","","101.69","0.02","90","","314.1","0.13","","","293","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Fe7 O9 -","- Fe7 O9 -","- Fe14 O18 -","2","0.25","","Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky","Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure","Scientific Reports","2016","6","","32852","","10.1038/srep32852","","x-ray","0.71069","MoKα","","0.0345","0.0339","","","0.0898","0.0907","","","","","","1.187","","","","has coordinates","201108","2020-10-21","18:00:00",""
"1547277","9.6901","0.0012","2.8943","0.0005","11.4397","0.0014","90","","102.045","0.014","90","","313.77","0.08","","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Fe5.94 Mg1.06 O9 -","- Fe5.94 Mg1.064 O9 -","- Fe11.88 Mg2.128 O18 -","2","0.25","","Ryosuke Sinmyo; Elena Bykova; Sergey V. Ovsyannikov; Catherine McCammon; Ilya Kupenko; Leyla Ismailova; Leonid Dubrovinsky","Discovery of Fe7O9: a new iron oxide with a complex monoclinic structure","Scientific Reports","2016","6","","32852","","10.1038/srep32852","","x-ray","0.71069","MoKα","","0.0508","0.0427","","","0.1178","0.1229","","","","","","1.194","","","","has coordinates","201109","2020-10-21","18:00:00",""
"1547347","4.9877","","4.9877","","17.053","0.0003","90","","90","","120","","367.394","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0134","0.0133","","","0.0201","0.0201","","","","1.69","1.69","1.68","","","","has coordinates","288072","2023-12-06","13:08:11",""
"1547348","4.988","","4.988","","17.0607","0.0003","90","","90","","120","","367.604","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0181","0.0177","","","0.024","0.0241","","","","1.85","1.85","1.83","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547349","4.986","","4.986","","17.0592","0.0003","90","","90","","120","","367.277","0.006","294","","294","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.018","0.0173","","","0.023","0.0231","","","","1.81","1.81","1.77","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547350","4.9876","","4.9876","","17.0575","0.0005","90","","90","","120","","367.476","0.011","295","","295","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0207","0.0207","","","0.0264","0.0264","","","","2.18","2.18","2.17","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547351","4.9804","0.0001","4.9804","0.0001","17.1932","0.0005","90","","90","","120","","369.331","0.015","580","","580","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0277","0.0277","","","0.0308","0.0308","","","","2.39","2.39","2.39","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547352","4.978","0.0001","4.978","0.0001","17.2509","0.0005","90","","90","","120","","370.213","0.015","683","","683","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0171","0.0171","","","0.0273","0.0273","","","","2.16","2.16","2.16","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547353","4.9763","0.0001","4.9763","0.0001","17.3134","0.0005","90","","90","","120","","371.301","0.015","787","","787","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71069","MoKα","","0.0271","0.0269","","","0.0342","0.0344","","","","2.68","2.68","2.67","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547354","4.9768","","4.9768","","17.3026","0.0004","90","","90","","120","","371.144","0.009","787","","787","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0197","0.0197","","","","1.61","1.61","1.6","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547355","4.9756","","4.9756","","17.3717","0.0003","90","","90","","120","","372.446","0.006","891","","891","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0174","0.0159","","","0.022","0.0223","","","","1.58","1.58","1.52","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547356","4.9752","","4.9752","","17.445","0.0004","90","","90","","120","","373.958","0.009","974","","974","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O -","- C0.166667 Ca0.166667 O0.5 -","- C6 Ca6 O18 -","36","1","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0335","0.0283","","","0.032","0.0328","","","","2.13","2.13","1.94","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547370","4.9747","","4.9747","","17.4468","0.0003","90","","90","","120","","373.921","0.006","995","","995","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0207","0.0197","","","0.0239","0.0243","","","","1.89","1.89","1.81","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547371","4.9694","","4.9694","","17.758","0.0003","90","","90","","120","","379.78","0.006","1213","","1213","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0551","0.0388","","","0.0558","0.0683","","","","1.43","1.43","1.27","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547372","4.9679","","4.9679","","17.809","0.0003","90","","90","","120","","380.641","0.006","1234","","1234","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.045","0.0341","","","0.0562","0.0574","","","","4.37","4.37","3.66","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547373","4.9745","","4.9745","","17.4912","0.0003","90","","90","","120","","374.843","0.006","1037","","1037","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0243","0.0217","","","0.025","0.0256","","","","1.72","1.72","1.63","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547374","4.9746","","4.9746","","17.5316","0.0003","90","","90","","120","","375.724","0.006","1058","","1058","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0279","0.0213","","","0.0262","0.0278","","","","1.65","1.65","1.48","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547375","4.9738","","4.9738","","17.5413","0.0003","90","","90","","120","","375.811","0.006","1078","","1078","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0229","0.0201","","","0.025","0.0255","","","","1.73","1.73","1.6","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547376","4.9738","","4.9738","","17.5547","0.0003","90","","90","","120","","376.098","0.006","1099","","1099","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0243","0.0201","","","0.0261","0.0269","","","","1.81","1.81","1.67","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547377","4.9738","","4.9738","","17.5798","0.0003","90","","90","","120","","376.635","0.006","1120","","1120","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0271","0.0225","","","0.0275","0.0287","","","","1.89","1.89","1.76","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547378","4.9725","","4.9725","","17.6257","0.0003","90","","90","","120","","377.421","0.006","1151","","1151","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0221","0.0211","","","0.0295","0.0297","","","","2.3","2.3","2.17","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547379","4.9728","","4.9728","","17.6811","0.0003","90","","90","","120","","378.653","0.006","1182","","1182","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0322","0.0249","","","0.0334","0.0345","","","","2.27","2.27","1.96","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547380","4.9714","","4.9714","","17.6902","0.0003","90","","90","","120","","378.635","0.006","1192","","1192","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- C Ca O3 -","- C Ca O3 -","- C6 Ca6 O18 -","6","0.166667","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0262","0.0235","","","0.0326","0.0333","","","","2.58","2.58","2.39","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547381","4.9699","","4.9699","","8.9166","","90","","90","","120","","190.733","","1254","","1254","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C Ca O3 -","- C Ca O3 -","- C3 Ca3 O9 -","3","0.0833333","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0345","0.024","","","0.0287","0.0312","","","","1.91","1.91","1.63","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1547382","4.9689","","4.9689","","8.9364","","90","","90","","120","","191.079","","1275","","1275","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- C Ca O3 -","- C Ca O3 -","- C3 Ca3 O9 -","3","0.0833333","","Nobuo Ishizawa; Hayato Setoguchi; Kazumichi Yanagisawa","Structural evolution of calcite at high temperatures: Phase V unveiled","Scientific Reports","2013","3","","2832","","10.1038/srep02832","","x-ray","0.71073","MoKα","","0.0394","0.0251","","","0.0284","0.031","","","","1.86","1.86","1.57","","","","has coordinates","288072","2023-12-06","13:08:12",""
"1548453","8.81155","0.00006","12.58714","0.00009","8.55975","0.00006","90","","90","","90","","949.381","0.011","","","10","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C H0.378 D5.622 I3 N Pb -","- C H0.378 D5.622 I3 N Pb -","- C4 H1.512 D22.488 I12 N4 Pb4 -","4","0.5","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","2.71","","","","has coordinates","204239","2020-10-21","18:00:00",""
"1548467","8.79948","0.00006","8.79948","0.00006","12.6882","0.0001","90","","90","","90","","982.458","0.012","","","190","","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C H0.378 D5.622 I3 N Pb -","- C H0.384 D5.616 I3 N Pb -","- C4 H1.536 D22.464 I12 N4 Pb4 -","4","0.125","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","2.52","","","","has coordinates","204284","2020-10-21","18:00:00",""
"1548468","6.30649","0.00003","6.30649","0.00003","6.30649","0.00003","90","","90","","90","","250.821","0.002","","","350","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C H0.378 D5.622 I3 N Pb -","- C0.498 H0.192 D2.808 I1.5 N0.498 Pb0.499 -","- C0.996 H0.384 D5.616 I3 N0.996 Pb0.998 -","2","0.0416667","","P. S. Whitfield; N. Herron; W. E. Guise; K. Page; Y. Q. Cheng; I. Milas; M. K. Crawford","Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide","Scientific Reports","2016","6","","35685","","10.1038/srep35685","powder diffraction","neutron","","","","","","","","","","","","","","","1.97","","","","has coordinates","204285","2020-10-21","18:00:00",""
"1548469","4.7483","0.0005","4.7483","0.0005","13.665","0.001","90","","90","","120","","266.82","0.04","","","296","","","","","","","","","4","R -3 :H","-R 3","148","","","hemleyite","- Fe0.48 Mg0.52 O3 Si -","- Fe0.48 Mg0.52 O3 Si -","- Fe2.88 Mg3.12 O18 Si6 -","6","0.333333","","Luca Bindi; Ming Chen; Xiande Xie","Discovery of the Fe-analogue of akimotoite in the shocked Suizhou L6 chondrite","Scientific Reports","2017","7","","42674","","10.1038/srep42674","","x-ray","0.71073","MoKα","","0.0892","0.0593","","","","","","","","","","","","","","has coordinates","204313","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",""
"1548484","6.613","0.005","25.081","0.019","30.74","0.02","90","","90","","90","","5099","6","293","2","93.15","","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C49 H36 F6 Mn2 N4 O10 S2 -","- C49 H36 F6 Mn2 N4 O10 S2 -","- C196 H144 F24 Mn8 N16 O40 S8 -","4","1","","Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita","Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex","Scientific Reports","2016","6","","23785","","10.1038/srep23785","","","0.710747","MoKα","","0.4995","0.3013","","","0.5092","0.6549","","","","","","1.188","","","","has coordinates","204354","2020-10-21","18:00:00",""
"1548485","6.5329","0.0008","26.757","0.004","30.62","0.004","90","","90","","90","","5352.4","1.2","93.15","","93.15","","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C53 H52 F6 Mn2 N4 O12 S2 -","- C53 H52 F6 Mn2 N4 O12 S2 -","- C212 H208 F24 Mn8 N16 O48 S8 -","4","1","","Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita","Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex","Scientific Reports","2016","6","","23785","","10.1038/srep23785","","","0.710747","MoKα","","0.1261","0.0745","","","0.0945","0.1158","","","","","","1.037","","","","has coordinates","204355","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",""
"1548604","19.957","0.004","9.858","0.002","15.78","0.003","90","","99.02","0.03","90","","3066.1","1.1","","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 N2 O7 -","- C12 N2 O7 -","- C96 N16 O56 -","8","1","","Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang","Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations","Scientific Reports","2013","3","","1058","","10.1038/srep01058","","x-ray","0.71073","MoKα","","0.0941","0.0862","","","0.2161","0.222","","","","","","1.215","","","","has coordinates","204751","2020-10-21","18:00:00",""
"1548605","8.6838","0.0017","8.8343","0.0018","10.114","0.002","80.33","0.03","72.94","0.03","67.07","0.03","681.9","0.3","","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H18 N2 O6 -","- C11 N2 O6 -","- C22 N4 O12 -","2","1","","Yu-Qiang Zhou; Nai-Xing Wang; Yalan Xing; Yan-Jing Wang; Xiao-Wei Hong; Jia-Xiang Zhang; Dong-Dong Chen; Jing-Bo Geng; Yanfeng Dang; Zhi-Xiang Wang","Stable acyclic aliphatic solid enols: synthesis, characterization, X-ray structure analysis and calculations","Scientific Reports","2013","3","","1058","","10.1038/srep01058","","x-ray","0.71073","MoKα","","0.0736","0.0653","","","0.1665","0.1736","","","","","","1.157","","","","has coordinates","204752","2020-10-21","18:00:00",""
"1548642","30.0315","0.0004","30.0315","0.0004","8.8752","0.0002","90","","90","","90","","8004.5","0.2","123.15","","123.15","","","","","","","","","5","I -4","I -4","82","","","","- C124 H230 N20 Ni4 O61 -","- C124 H156 N20 Ni4 O61 -","- C248 H312 N40 Ni8 O122 -","2","0.25","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.5418","CuKα","","0.0659","0.0655","","","0.1733","0.1744","","","","","","1.056","","","","has coordinates,has disorder","205022","2020-10-21","18:00:00",""
"1548643","18.6018","0.0005","20.4447","0.0004","23.3295","0.0005","102.63","0.002","108.244","0.002","109.763","0.002","7388.9","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H244 F6 N23 Ni5 O63 P -","- C107 H154 F6 N23 Ni5 O34 P -","- C214 H308 F12 N46 Ni10 O68 P2 -","2","1","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.54178","CuKα","","0.1277","0.1113","","","0.2298","0.2383","","","","","","1.098","","","","has coordinates,has disorder","205023","2020-10-21","18:00:00",""
"1548644","32.8793","0.0002","32.8793","0.0002","32.8793","0.0002","90","","90","","90","","35544.1","0.4","150","2","150","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C138 H255 Cl N28 Ni6 O59 -","- C138 H182.4 Cl N28 Ni6 O26.96 -","- C1104 H1459.2 Cl8 N224 Ni48 O215.68 -","8","0.0416667","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.54178","CuKα","","0.3382","0.2969","","","0.509","0.5163","","","","","","0.985","","","","has coordinates","205024","2020-10-21","18:00:00",""
"1565813","14.4504","0.0016","14.4504","0.0016","7.42607","0.00023","90","","90","","120","","1342.9","0.2","300","","","","","","","","","","","3","P 63","P 6c","173","","","","- Fe7 O38 P11 -","- Fe7 O38 P11 -","- Fe14 O76 P22 -","2","0.333333","","Goj, Pawel; Wajda, Aleksandra; Blachowski, Artur; Stoch, Pawel","A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification","Scientific Reports","2021","11","1","22957","","10.1038/s41598-021-02471-0","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","271539","2021-12-20","15:52:24",""
"1566650","6.245","0.0006","6.242","0.0006","5.77577","0.00009","90","","90","","90","","225.15","0.03","","","","","","","","","","","","2","P m m n :2","-P 2ab 2a","59","ice XV","","","- D2 O -","- D2 O -","- D20 O10 -","10","1.25","","Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H.","Partially ordered state of ice XV","Scientific Reports","2016","6","","28920","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273844","2022-03-20","08:04:13",""
"1566660","6.2446","0.00006","6.2446","0.00006","5.76203","0.0001","90","","90","","90","","224.691","0.005","","","","","","","","","","","","2","P 42/n m c :2","-P 4ac 2a","137","ice VI","","","- D2 O -","- D2 O -","- D20 O10 -","10","0.625","","Komatsu, K.; Noritake, F.; Machida, S.; Sano-Furukawa, A.; Hattori, T.; Yamane, R.; Kagi, H.","Partially ordered state of ice XV","Scientific Reports","2016","6","","28920","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273856","2022-03-21","04:53:10",""
"1568403","14.184","0.005","21.669","0.008","21.746","0.008","90","","90.63","0.02","90","","6683","4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl4 N8 O4 Pd2 S4 -","- C22 H32 Cl4 N8 O4 Pd2 S4 -","- C176 H256 Cl32 N64 O32 Pd16 S32 -","8","2","","Javier Espino; Elena Fernández-Delgado; Samuel Estirado; Francisco Luna-Giles; Felipe de la Cruz-Martinez; Sergio Villa-Carballar; Emilio Viñuelas-Zahínos; Francisco Luna-Giles; Jos'e A. Pariente","Synthesis and structure of a new thiazoline-based palladium(II) complex that promotes cytotoxicity and apoptosis of human promyelocytic leukemia HL-60 cells","Scientific Reports","2020","10","","16745","","10.1038/s41598-020-73488-0","","","0.71073","MoKα","","0.0441","0.0333","","","0.0644","0.0677","","","","","","1.176","","","","has coordinates","280923","2023-02-15","12:18:39",""
"3000243","3.0778","0.0006","5.335","0.0014","15.1219","0.0006","90","","90","","90","","248.3","0.08","291.66","","291.66","","","","","","","","","2","C m c 21","C 2c -2","36","","","Moissanite 6O SiC","- C Si -","- C Si -","- C12 Si12 -","12","1.5","","El Mendili, Yassine; Orberger, Beate; Chateigner, Daniel; Bardeau, Jean-François; Gascoin, Stéphanie; Petit, Sébastien; Perez, Olivier; Khadraoui, Fouzia","Insight into the structural, elastic and electronic properties of a new orthorhombic 6O-SiC polytype","Scientific Reports","2020","10","1","7562","","10.1038/s41598-020-64415-4","","x-ray","1.54184","CuKα","","0.0452","0.0329","","","0.0438","0.0442","","","","3.81","3.81","3","","","","has coordinates","251946","2020-10-21","18:00:00",""
"3000327","8.39912","","8.39912","","8.39912","","90","","90","","90","","592.518","","293","","293","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","iron oxide","","- Fe3 O4 -","- Fe2.99904 O4 -","- Fe23.9923 O32 -","8","0.0416667","","Paul, Tanmoy","A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distribution function of relaxation times (DFRTs) analyses","Scientific Reports","2022","","","4851","","","","","","cuKα","","","","","","","","","11.0044","","","","","","","","has coordinates","277017","2022-07-30","18:38:14",""
"3000328","2.8202","","9.4378","","9.382","","90","","90","","90","","249.716","","293","","293","","","","","","","","","2","P b c m","-P 2c 2b","57","","iron oxide","","- Fe3 O4 -","- Fe6 O8 -","- Fe12 O16 -","2","0.25","","Paul, Tanmoy","A study on Ti-doped Fe3O4 anode for Li ion battery using machine learning, electrochemical and distrib analyses","Scientific Reports","2022","","","4851","","","","","","cuKα","","","","","","","","","11.0044","","","","","","","","has coordinates","277016","2022-07-30","18:30:00",""
"3000344","5.752316","","4.525392","","5.382368","","90","","122.611","","90","","118.022","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O2 V -","- O2 V -","- O8 V4 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282558","2023-04-11","15:44:32",""
"3000345","5.756886","","4.528684","","5.383653","","90","","122.586","","90","","118.263","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 V0.989 W0.011 -","- O2 V0.9894 W0.0106 -","- O8 V3.9576 W0.0424 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282559","2023-04-11","15:45:54",""
"3000346","5.765868","","4.531848","","5.384223","","90","","122.645","","90","","118.465","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 V0.973 W0.027 -","- O2 V0.973 W0.027 -","- O8 V3.892 W0.108 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282560","2023-04-11","15:47:13",""
"3000347","4.554985","","4.554985","","2.854296","","90","","90","","90","","59.221","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.488 W0.012 -","- O V0.4875 W0.0125 -","- O4 V1.95 W0.05 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282561","2023-04-11","15:48:10",""
"3000348","5.740803","","4.593496","","5.356922","","90","","122.28","","90","","119.431","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 V0.957 W0.043 -","- O2 V0.96 W0.04 -","- O8 V3.84 W0.16 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282562","2023-04-11","15:49:12",""
"3000349","4.55898","","4.55898","","2.856885","","90","","90","","90","","59.378","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.481 W0.019 -","- O V0.48125 W0.01875 -","- O4 V1.925 W0.075 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282563","2023-04-11","15:50:05",""
"3000350","4.56274","","4.56274","","2.863021","","90","","90","","90","","59.604","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.468 W0.032 -","- O V0.4684 W0.0316 -","- O4 V1.8736 W0.1264 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282564","2023-04-11","15:51:08",""
"3000351","4.566021","","4.566021","","2.868822","","90","","90","","90","","59.811","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.455 W0.045 -","- O V0.45535 W0.04465 -","- O4 V1.8214 W0.1786 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282565","2023-04-11","15:51:59",""
"3000352","4.569537","","4.569537","","2.87232","","90","","90","","90","","59.976","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.448 W0.052 -","- O V0.44815 W0.05185 -","- O4 V1.7926 W0.2074 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282566","2023-04-11","15:53:03",""
"3000353","4.572685","","4.572685","","2.878604","","90","","90","","90","","60.19","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.425 W0.075 -","- O V0.4249 W0.0751 -","- O4 V1.6996 W0.3004 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282567","2023-04-11","15:53:54",""
"3000354","4.56124","0.00008","4.56124","0.00008","2.88795","0.00006","90","","90","","90","","60.0835","0.0019","90","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.462 W0.038 -","- O V0.46175 W0.03825 -","- O4 V1.847 W0.153 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","282568","2023-04-11","15:55:05",""
"3000355","4.56631","0.00009","4.56631","0.00009","2.88937","0.00006","90","","90","","90","","60.247","0.002","90","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.453 W0.047 -","- O V0.4526 W0.0474 -","- O4 V1.8104 W0.1896 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","282569","2023-04-11","15:56:27",""
"3000356","4.57222","0.00006","4.57222","0.00006","2.8669","0.00004","90","","90","","90","","59.9331","0.0014","90","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","","","- O V0.433 W0.067 -","- O V0.43255 W0.06745 -","- O4 V1.7302 W0.2698 -","4","0.25","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","282570","2023-04-11","15:58:07",""
"3000362","5.70293","","4.55591","","5.39085","","90","","122.337","","90","","118.343","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.992 W0.008 -","- O2 V0.9916 W0.0084 -","- O8 V3.9664 W0.0336 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282571","2023-04-11","15:59:00",""
"3000363","4.54028","","4.54028","","2.86067","","90","","90","","90","","58.97","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.992 W0.008 -","- O V0.4958 W0.0042 -","- O4 V1.9832 W0.0168 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282572","2023-04-11","15:59:55",""
"3000364","5.77225","","4.54015","","5.40157","","90","","122.914","","90","","118.836","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.975 W0.025 -","- O2 V0.9753 W0.0247 -","- O8 V3.9012 W0.0988 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282573","2023-04-11","16:01:37",""
"3000365","4.5539","","4.5539","","2.85868","","90","","90","","90","","59.283","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.975 W0.025 -","- O V0.48765 W0.01235 -","- O4 V1.9506 W0.0494 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282574","2023-04-11","16:02:29",""
"3000366","4.55959","","4.55959","","2.85856","","90","","90","","90","","59.429","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.964 W0.036 -","- O V0.4818 W0.0182 -","- O4 V1.9272 W0.0728 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282575","2023-04-11","16:03:32",""
"3000367","4.56377","","4.56377","","2.86364","","90","","90","","90","","59.644","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.937 W0.063 -","- O V0.46845 W0.03155 -","- O4 V1.8738 W0.1262 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282576","2023-04-11","16:04:23",""
"3000368","4.56774","","4.56774","","2.86988","","90","","90","","90","","59.878","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.911 W0.089 -","- O V0.4553 W0.0447 -","- O4 V1.8212 W0.1788 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282577","2023-04-11","16:06:41",""
"3000369","4.5719","","4.5719","","2.87401","","90","","90","","90","","60.073","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.896 W0.104 -","- O V0.44785 W0.05215 -","- O4 V1.7914 W0.2086 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282578","2023-04-11","16:07:34",""
"3000370","4.57297","","4.57297","","2.87908","","90","","90","","90","","60.207","","","","","","","","","","","","","3","P 1","P 1","1","","","","- O2 V0.85 W0.15 -","- O V0.4249 W0.0751 -","- O4 V1.6996 W0.3004 -","4","4","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","","","","","","","","","","","","","","","","","","","","","has coordinates","282579","2023-04-11","16:08:30",""
"3000375","5.755932","","4.528083","","5.385573","","90","","122.606","","90","","118.244","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.005 V0.995 -","- O2 Sc0.005 V0.995 -","- O8 Sc0.02 V3.98 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282580","2023-04-11","16:09:28",""
"3000376","5.755554","","4.527687","","5.384285","","90","","122.593","","90","","118.214","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.007 V0.993 -","- O2 Sc0.0075 V0.9925 -","- O8 Sc0.03 V3.97 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282581","2023-04-11","16:10:17",""
"3000377","5.756384","","4.528615","","5.386136","","90","","122.617","","90","","118.265","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.003 V0.997 -","- O2 Sc0.003 V0.997 -","- O8 Sc0.012 V3.988 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282582","2023-04-11","16:11:05",""
"3000378","5.754162","","4.527055","","5.384134","","90","","122.603","","90","","118.153","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.018 V0.982 -","- O2 Sc0.0175 V0.9825 -","- O8 Sc0.07 V3.93 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282583","2023-04-11","16:12:08",""
"3000379","5.755693","","4.527684","","5.383801","","90","","122.585","","90","","118.217","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.021 V0.979 -","- O2 Sc0.021 V0.979 -","- O8 Sc0.084 V3.916 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282584","2023-04-11","16:13:08",""
"3000380","5.756596","","4.528448","","5.386749","","90","","122.613","","90","","118.284","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.015 V0.985 -","- O2 Sc0.015 V0.985 -","- O8 Sc0.06 V3.94 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282585","2023-04-11","16:13:55",""
"3000381","5.755818","","4.52814","","5.384144","","90","","122.582","","90","","118.243","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O2 Sc0.047 V0.953 -","- O2 Sc0.05 V0.95 -","- O8 Sc0.2 V3.8 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282586","2023-04-11","16:15:07",""
"3000382","5.753169","","4.526911","","5.381891","","90","","122.588","","90","","118.1","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Cr0.005 O2 V0.995 -","- Cr0.005 O2 V0.995 -","- Cr0.02 O8 V3.98 -","4","1","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282587","2023-04-11","16:23:54",""
"3000383","9.065126","","5.767309","","4.522985","","90","","91.1962","","90","","236.416","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr0.02 O4 V1.98 -","- Cr0.02 O4 V1.98 -","- Cr0.08 O16 V7.92 -","4","0.5","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282588","2023-04-11","16:24:48",""
"3000384","9.064784","","5.791293","","4.526692","","90","","91.9246","","90","","237.503","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cr0.06 O4 V1.94 -","- Cr0.06 O4 V1.94 -","- Cr0.24 O16 V7.76 -","4","0.5","","Wilson, Catrina E.; Gibson, Amanda E.; Cuillier, Paul M.; Li, Cheng-Han; Crosby, Patrice H.N.; Trigg, Edward B.; Najmr, Stan; Murray, Christopher B.; Jinschek, Joerg R.; Doan-Nguyen, Vicky","Local structure elucidation of tungsten- substituted vanadium dioxide (V1-xWxO2)","Scientific Reports","2022","12","","14767","","","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","282589","2023-04-11","16:25:38",""
"3000399","3.2116","0.0001","9.1666","0.0001","8.4581","0.0001","90","","90","","90","","249.002","0.009","","","","","","","","","","","","2","C m c 21","C 2c -2","36","Rhodium gallide (1/3)","","","- Ga12 Rh4 -","- Ga3 Rh -","- Ga12 Rh4 -","4","0.5","","Wittkämper, Haiko; Hock, Rainer; Weißer, Matthias; Dallmann, Johannes; Vogel, Carola; Raman, Narayanan; Taccardi, Nicola; Haumann, Marco; Wasserscheid, Peter; Hsieh, Tzung-En; Maisel, Sven; Moritz, Michael; Wichmann, Christoph; Frisch, Johannes; Gorgoi, Mihaela; Wilks, Regan G.; Bär, Marcus; Wu, Mingjian; Spiecker, Erdmann; Görling, Andreas; Unruh, Tobias; Steinrück, Hans-Peter; Papp, Christian","Isolated Rh atoms in dehydrogenation catalysis","Scientific Reports","2023","13","1","4458","","10.1038/s41598-023-31157-y","","","","","","","","","","","","","","","","","","","","","has coordinates","293369","2024-07-11","06:58:14",""
"3000452","2.7117","","2.7117","","28.776899","","90","","90","","120","","183.256","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289141","2024-01-19","08:01:16",""
"3000453","2.71133","","2.71133","","28.5112","","90","","90","","120","","181.514","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289146","2024-01-19","08:07:50",""
"3000454","2.71174","","2.71174","","28.8244","","90","","90","","120","","183.564","","0","","0","","0","","0","","","","","4","P 3 m 1","P 3 -2""","156","Brucite Graphene heterojunction","","","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","- C2 H2 Mg O2 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289142","2024-01-19","08:03:12",""
"3000455","5.05475","","5.05475","","38.8242","","90","","90","","120","","859.078","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289147","2024-01-19","08:08:40",""
"3000456","5.05492","","5.05492","","38.818501","","90","","90","","120","","859.009","","0","","0","","0","","0","","","","","4","P 3 1 m","P 3 -2","157","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.166667","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289143","2024-01-19","08:04:02",""
"3000457","5.05489","","5.05489","","38.844898","","90","","90","","120","","859.583","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H12 Mg9 O12 -","- C8 H12 Mg9 O12 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289148","2024-01-19","08:09:33",""
"3000458","5.0348","","5.0348","","39.130699","","90","","90","","120","","859.039","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289144","2024-01-19","08:05:10",""
"3000459","5.0346","","5.0346","","39.133801","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289145","2024-01-19","08:06:13",""
"3000460","5.03492","","5.03492","","39.128799","","90","","90","","120","","859.038","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289149","2024-01-19","08:10:18",""
"3000461","5.02417","","5.02417","","39.2957","","90","","90","","120","","859.022","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289150","2024-01-19","08:10:59",""
"3000462","5.03172","","5.03172","","39.178001","","90","","90","","120","","859.025","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289151","2024-01-19","08:12:32",""
"3000463","5.03194","","5.03194","","39.171398","","90","","90","","120","","858.955","","0","","0","","0","","0","","","","","5","P 1","P 1","1","Al-bearing Brucite Graphene heterojunction","","","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","- C8 H5 Al Mg2 O6 -","1","1","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289152","2024-01-19","08:13:32",""