# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-05-20T20:48:15+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P m -3' 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
"1010349","5.45","","5.45","","5.45","","90","","90","","90","","161.9","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Rubidium trinitromercurate","","- Hg N3 O6 Rb -","- Hg N3 O6 Rb -","- Hg N3 O6 Rb -","1","0.0416667","","Ferrari, A; Colla, C","Mercurinitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010350","5.475","","5.475","","5.475","","90","","90","","90","","164.1","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Caesium trinitromercurate","","- Cs Hg N3 O6 -","- Cs Hg N3 O6 -","- Cs Hg N3 O6 -","1","0.0416667","","Ferrari, A; Colla, C","Mercurinitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010351","5.385","","5.385","","5.385","","90","","90","","90","","156.2","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Thallium trinitromercurate","","- Hg N3 O6 Tl -","- Hg N3 O6 Tl -","- Hg N3 O6 Tl -","1","0.0416667","","Ferrari, A; Colla, C","Mercurinitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","789","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010352","5.325","","5.325","","5.325","","90","","90","","90","","151","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Potassium trinitrocadmate","","- Cd K N3 O6 -","- Cd K N3 O6 -","- Cd K N3 O6 -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010353","5.375","","5.375","","5.375","","90","","90","","90","","155.3","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Rubidium trinitrocadmate","","- Cd N3 O6 Rb -","- Cd N3 O6 Rb -","- Cd N3 O6 Rb -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010354","5.39","","5.39","","5.39","","90","","90","","90","","156.6","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Caesium trinitrocadmate","","- Cd Cs N3 O6 -","- Cd Cs N3 O6 -","- Cd Cs N3 O6 -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010355","5.34","","5.34","","5.34","","90","","90","","90","","152.3","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Thallium trinitrocadmate","","- Cd N3 O6 Tl -","- Cd N3 O6 Tl -","- Cd N3 O6 Tl -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010356","5.355","","5.355","","5.355","","90","","90","","90","","153.6","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Ammonium trinitrocadmate","","- Cd H4 N4 O6 -","- Cd H4.5 N4 O6 -","- Cd H4.5 N4 O6 -","1","0.0416667","","Ferrari, A; Baroni, A; Colla, C","Cadmionitriti di metalli monovalenti","Gazzetta Chimica Italiana","1935","65","","797","809","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1522177","14.361","","14.361","","14.361","","90","","90","","90","","2961.79","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Fe6 Sc29 -","- Fe6 Sc29 -","- Fe24 Sc116 -","4","0.166667","","Kotur, B.Ya.; Bodak, O.I.; Andrusyak, R.I.; Zavodnik, V.E.; Bel'skii, V.K.","The crystal structure of Sc29 Fe6","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki","1986","1986","","29","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522332","8.16528","","8.16528","","8.16528","","90","","90","","90","","544.394","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Gd Ba4 Cu3 O9.18","","- Ba4 Cu3 Gd O9.18 -","- Ba4 Cu3 Gd O9.18 -","- Ba8 Cu6 Gd2 O18.36 -","2","0.0833333","","Zhu, Y.T.; Mueller, F.M.; Peterson, E.J.; Baldonado, P.S.; Coulter, J.Y.; Peterson, D.E.","Synthesis and crystal chemistry of the new compounds Gd Ba4 Cu3 O8.5+d and Dy Ba4 Cu3 O8.5+d","Journal of Materials Research","1999","14","","334","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522821","8.552","","8.552","","8.552","","90","","90","","90","","625.465","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Mg2 Zn11 -","- Mg2 Zn11 -","- Mg6 Zn33 -","3","0.125","","Samson, S.","Die Kristallstruktur des Mg2 Zn11. Isomorphie zwischen Mg2 Zn11 und Mg2 Cu6 Al5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1949","3","","835","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527245","4.07","","4.07","","4.07","","90","","90","","90","","67.419","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4)2 (Cu (N H3)2) Br4)0.25","","- Br Cu0.25 H3.5 N -","- Br Cu0.252 H3.5008 N -","- Br Cu0.252 H3.5008 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Diammonium diamminecopper(II) bromide, Br4 Cu H14 N4","Crystal Structure Communications","1976","5","","57","60","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527246","3.901","","3.901","","3.901","","90","","90","","90","","59.365","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4) (Cu (N H3)2) Cl3)0.3333","","- Cl0.9999 Cu0.3333 H3.333 N0.9999 -","- Cl Cu0.333 H3.3336 N -","- Cl Cu0.333 H3.3336 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Ammonium diamminecopper(II) chloride, Cl3 Cu H10 N3","Crystal Structure Communications","1976","5","","63","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527247","3.91","","3.91","","3.91","","90","","90","","90","","59.776","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","((N H4)2 (Cu (N H3)2) Cl4)0.25","","- Cl Cu0.25 H3.5 N -","- Cl Cu0.249 H3.5 N -","- Cl Cu0.249 H3.5 N -","1","0.0416667","","Clayton, W.; Meyers, E.","Diammonium diamminecopper(II) chloride, Cl4 Cu H14 N4","Crystal Structure Communications","1976","5","","61","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527958","7.487","","7.487","","7.487","","90","","90","","90","","419.685","","","","","","","","","","","","","3","P m -3","-P 2 2 3","200","","Cu Ta2 O6","","- Cu O6 Ta2 -","- Cu1.00005 O6 Ta2 -","- Cu4.0002 O24 Ta8 -","4","0.166667","","Propach, V.","Kristallstruktur von Ca0.5 Cu1.5 Ti2 O6 , Cu1.5 Ta Ti O6 und Cu Ta2 O6 . Das spektroskopische Verhalten von Cu(2+)-Ionen in kubooktaedrischer Umgebung","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","435","","161","171","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529593","5.466","","5.466","","5.466","","90","","90","","90","","163.309","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Cs Cd (N O2)3","","- Cd Cs N3 O6 -","- Cd Cs N3 O6 -","- Cd Cs N3 O6 -","1","0.0416667","","Barnes, J.C.; Sesay, L.J.; Hetherington, A.; Duncan, C.S.; Paton, J.; Smith, W.R.","Metal ions doped into cesium cadmium trinitrite. Spectroscopic, crystallographic and thermal decomposition studies","Journal of the Less-Common Metals","1979","63","","287","295","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529686","11.213","","11.213","","11.213","","90","","90","","90","","1409.83","","","","","","","","","","","","","5","P m -3","-P 2 2 3","200","","(Co (N H3)3 (H2 O)3 ) (Cl O4)3","","- Cl3 Co H15 N3 O15 -","- Cl3 Co H14.9994 N3 O15 -","- Cl12 Co4 H59.9976 N12 O60 -","4","0.166667","","Brennan, T.F.; Gardner, A.P.; Garafalo, A.R.; Davies, G.","The crystal and molecular structure of triamminetriaquocobalt(III) perchlorate, (Co (N H3)3 (H2 O)3) (Cl O4)3. A highly disordered structure","Inorganica Chimica Acta","1978","30","","97","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531995","12.874","","12.874","","12.874","","90","","90","","90","","2133.74","","","","","","","","","","","","","3","P m -3","-P 2 2 3","200","","","","- Al102 Re24 Si12 -","- Al102 Re24 Si12 -","- Al102 Re24 Si12 -","1","0.0416667","","Onogi, T.; Takeuchi, T.; Mizutani, U.; Sato, H.","Atomic and electronic structure determination for a series of Al - Re - Si MI-type 1/1-cubic approximants","Journal of Alloys Compd.","2002","342","","397","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531996","12.7779","","12.7779","","12.7779","","90","","90","","90","","2086.31","","","","","","","","","","","","","3","P m -3","-P 2 2 3","200","","","","- Al92.76 Re24 Si19.8 -","- Al92.76 Re24 Si19.8 -","- Al92.76 Re24 Si19.8 -","1","0.0416667","","Onogi, T.; Takeuchi, T.; Mizutani, U.; Sato, H.","Atomic and electronic structure determination for a series of Al - Re - Si MI-type 1/1-cubic approximants","Journal of Alloys Compd.","2002","342","","397","401","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532189","12.46","","12.46","","12.46","","90","","90","","90","","1934.44","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- Al70.97 Cu34.26 Ru17.46 Si13.71 -","- Al70.968 Cu34.26 Ru17.464 Si13.716 -","- Al70.968 Cu34.26 Ru17.464 Si13.716 -","1","0.0416667","","Takeuchi, T.; Mizutani, U.","Interpretation of high electrical resistivity based on the structure determination of the Al - Cu - (Fe, Ru) - Si 1/1-cubic approximants","Journal of Alloys Compd.","2002","342","","416","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533741","12.32108","","12.32108","","12.32108","","90","","90","","90","","1870.45","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Al78.2 Si9.7 Cu32.5 Fe16","","- Al78.2 Cu32.5 Fe16 Si9.7 -","- Al78.168 Cu32.53 Fe16.02 Si9.672 -","- Al78.168 Cu32.53 Fe16.02 Si9.672 -","1","0.0416667","","Stadnik, Z.M.; Takeuchi, T.; Tanaka, N.; Mizutani, U.","Structural, Mossbauer and transport studies of the icosahedral quasicrystals Al55 Si7 Cu25.5 Fe12.5, Al62.5 Cu24.5 Fe13 and the crystalline 1/1 approximant Al55 Si7 Cu25.5 Fe12.5","Journal of Physics: Condensed Matter","2003","15","","6365","6380","","","","","","","","","","","","","","","","","","","","","","has coordinates","160010","2020-10-21","18:00:00",""
"1539381","8.067","","8.067","","8.067","","90","","90","","90","","524.972","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Ba Y.25 Cu.75 O2.25","","- Ba Cu0.75 O2.25 Y0.25 -","- Ba Cu0.75 O2.25 Y0.25 -","- Ba8 Cu6 O18 Y2 -","8","0.333333","","Abbattista, F.; Lucco Borlera, M.; Vallino, M.; Mazza, D.; Brisi, C.","New phases with perovskite-related structures in the most basic zone of the Ba O-Y2 O3-Cu O-O system","Materials Chemistry and Physics","1988","20","","191","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539852","8.1218","","8.1218","","8.1218","","90","","90","","90","","535.743","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Y Ba4 Cu3 O8.5","","- Ba4 Cu3 O8.5 Y -","- Ba4 Cu3 O8.5161 Y -","- Ba8 Cu6 O17.0322 Y2 -","2","0.0833333","","de Leeuw, D.M.; Steeman, R.A.; Mutsaers, C.A.H.A.; Zandbergen, H.W.; Frikkee, E.","Crystal structure and electrical conductivity of Y Ba4 Cu3 O8.5+delta (delta= 0.0 - 0.5)","Physica C (Amsterdam)","1989","158","","391","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539855","8.1174","","8.1174","","8.1174","","90","","90","","90","","534.873","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Y Ba4 Cu3 O9","","- Ba4 Cu3 O9 Y -","- Ba4 Cu3 O9 Y -","- Ba8 Cu6 O18 Y2 -","2","0.0833333","","de Leeuw, D.M.; Zandbergen, H.W.; Mutsaers, C.A.H.A.; Steeman, R.A.; Frikkee, E.","Crystal structure and electrical conductivity of Y Ba4 Cu3 O8.5+delta (delta= 0.0 - 0.5)","Physica C (Amsterdam)","1989","158","","391","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541236","5.0293","","5.0293","","5.0293","","90","","90","","90","","127.21","","","","","","","","","","","","","3","P m -3","-P 2 2 3","200","","","","- Al5.598 Ge W1.402 -","- Al5.598 Ge W1.402 -","- Al5.598 Ge W1.402 -","1","0.0416667","","Milyan, V.V.; Kuz'ma, Yu.B.","X-ray studies in the system W-Al-Ge","Russian Metallurgy","1986","1986","","158","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542240","4.331","","4.331","","4.331","","90","","90","","90","","81.239","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","Hg (N H2) Br","","- Br H2 Hg N -","- Br Hg0.99 N -","- Br Hg0.99 N -","1","0.0416667","","Ruedorff, W.; Brodersen, K.","Die Struktur von Quecksilberamidobromid und die Bildung von Mischkristallen zwischen Qucksilberdiamminbromid, Qucksilberamidobromid und Ammoniumbromid","Zeitschrift fuer Anorganische und Allgemeine Chemie","1952","270","","145","159","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1570595","7.755","0.00004","7.755","0.00004","7.755","0.00004","90","","90","","90","","466.386","0.004","300","1","300","1","","","","","","","","3","P m -3","-P 2 2 3","200","","","","- Al22.43 Ru6.88 Si1.79 -","- Al22.432 Ru6.88 Si1.792 -","- Al22.432 Ru6.88 Si1.792 -","1","0.0416667","","Kitahara, Koichi; Takakura, Hiroyuki; Iwasaki, Yutaka; Kimura, Kaoru","Phase Equilibria in Aluminium–Ruthenium–Silicon System near 1200 Kelvin","Materials Transactions","2024","65","1","18","26","10.2320/matertrans.MT-M2023128","","x-ray","0.71073","MoKα","","0.0165","0.0161","","","0.0356","0.0357","","","","","","1.221","","","","has coordinates","288547","2023-12-25","02:20:55",""
"2002339","7.78","","7.78","","7.78","","90","","90","","90","","470.9","","","","","","","","","","","","","3","P m -3","-P 2 2 3","200","","Calcium ditantalum oxide","","- Ca O6 Ta2 -","- Ca O6 Ta2 -","- Ca4 O24 Ta8 -","4","0.166667","","Tiedemann, P; Mueller-Buschbaum, Hk","Eine kubische Hochtemperaturform von Ca Ta2 O6","Zeitschrift fuer Anorganische und Allgemeine Chemie","1984","516","","201","206","10.1002/zaac.19845160925","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2007194","12.643","0.001","12.643","0.001","12.643","0.001","90","","90","","90","","2020.9","0.3","297","2","297","2","","","","","","","","3","P m -3","-P 2 2 3","200","α-(AlMnSi)","α-(AlMnSi)","","- Al4 Mn1.01 Si0.74 -","- Al4.0125 Mn Si0.7375 -","- Al96.3 Mn24 Si17.7 -","24","1","OH1107","Sugiyama, Kazumasa; Kaji, Nobutaka; Hiraga, Kenji","Re-Refinement of α-(AlMnSi)","Acta Crystallographica Section C","1998","54","4","445","447","10.1107/S0108270197015989","","","0.71069","MoKα","","0.066","0.031","","0.062","0.057","","","","0.959","1.09","1.09","","","","","has coordinates,has Fobs","176759","2020-10-21","18:00:00",""
"2020027","14.405","","14.405","","14.405","","90","","90","","90","","2989.09","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Rh13 Sc57 -","- Rh13 Sc57 -","- Rh26 Sc114 -","2","0.0833333","","Cenzual, K.; Chabot, B.; Parthe, E.","Cubic Sc57 Rh13 and orthorhombic Hf54 Os17, two geometrically related crystal structures with rhodium- and osmium-centered icosahedra","Acta Crystallographica C (39,1983-)","1985","41","","313","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310109","4.2","","4.2","","4.2","","90","","90","","90","","74.088","","","","","","","","","","","","","3","P m -3","-P 2 2 3","200","","Th Pd0.84 B4.2","","- B4.2 Pd0.84 Th -","- B4.2 Pd0.84 Th -","- B4.2 Pd0.84 Th -","1","0.0416667","","Jansen, J.; Tang, D.; Zandbergen, H. W.; Schenk, H.","MSLS, a Least-Squares Procedure for Accurate Crystal Structure Refinement from Dynamical Electron Diffraction Patterns","Acta Crystallographica Section A","1998","54","1","91","101","10.1107/S0108767397010489","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310324","9.605","","9.605","","9.605","","90","","90","","90","","886.119","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Cd11 Na2 -","- Cd11 Na2 -","- Cd33 Na6 -","3","0.125","","Wong Chihsiang; Chieh Chung; Lee Tseng-Yuh","The crystal structure of Na2 Cd11","Acta Crystallographica (1,1948-23,1967)","1965","19","","849","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310366","12.68","","12.68","","12.68","","90","","90","","90","","2038.72","","","","","","","","","","","","","2","P m -3","-P 2 2 3","200","","","","- Al57 Mn12 -","- Al57 Mn12 -","- Al114 Mn24 -","2","0.0833333","","Cooper, M.; Robinson, K.","The crystal structure of the ternary alloy alpha (Al Mn Si)","Acta Crystallographica (1,1948-23,1967)","1966","20","","614","617","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310591","4.076","","4.076","","4.076","","90","","90","","90","","67.718","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","(Cu (N H3)2)0.5 Br","","- Br Cu0.5 H3 N -","- Br Cu0.5001 N -","- Br Cu0.5001 N -","1","0.0416667","","Hanic, F.; Cakajdova, I.A.","Die Kristallstruktur von Cu (N H3)2 Br2 und Cu (N H3)2 C","Acta Crystallographica (1,1948-23,1967)","1958","11","","610","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4126676","19.4129","0.0007","19.4129","0.0007","19.4129","0.0007","90","","90","","90","","7316","0.5","100","2","100","2","","","","","","","","5","P m -3","-P 2 2 3","200","Gd32","","","- C72 H168 Gd32 N24 O156 -","- C72 H168 Gd32 N24 O156 -","- C72 H168 Gd32 N24 O156 -","1","0.0416667","","Qin, Lei; Zhou, Guojun; Yu, You-Zhu; Nojiri, Hiroyuki; Schröder, Christian; Winpenny, Richard E. P.; Zheng, Yan-Zhen","Topological Self-Assembly of Highly-Symmetric Lanthanide Clusters: A Magnetic Study of Exchange-Coupling ""Fingerprints"" in Giant Gadolinium(III) Cages.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b09996","","","0.71073","MoKα","","0.1398","0.1075","","","0.225","0.2546","","","","","","1.113","","","","has coordinates","202561","2020-10-21","18:00:00",""
"4128099","29.8348","0.0004","29.8348","0.0004","29.8348","0.0004","90","","90","","90","","26556.4","0.6","153","","153","","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C209 H241 N2 O27 Zn8 -","- C209 H239.5 N2 O27 Zn8 -","- C627 H718.5 N6 O81 Zn24 -","3","0.125","","Zhou, Tian-You; Auer, Bernhard; Lee, Seok J.; Telfer, Shane G.","Catalysts Confined in Programmed Framework Pores Enable New Transformations and Tune Reaction Efficiency and Selectivity.","Journal of the American Chemical Society","2019","141","4","1577","1582","10.1021/jacs.8b11221","","","1.54178","CuKα","","0.1806","0.166","","","0.4414","0.4553","","","","","","1.776","","","","has coordinates,has disorder","221230","2020-10-21","18:00:00",""
"4129298","29.9525","0.0003","29.9525","0.0003","29.9525","0.0003","90","","90","","90","","26872","0.5","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C59 H42 O13 Zn4 -","- C59 H42 O13 Zn4 -","- C354 H252 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0315","0.0292","","","0.0771","0.0797","","","","","","1.068","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129299","29.9508","0.0005","29.9508","0.0005","29.9508","0.0005","90","","90","","90","","26867.4","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C67 H58 O13 Zn4 -","- C67 H58 O13 Zn4 -","- C402 H348 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.05","0.0441","","","0.108","0.1114","","","","","","1.096","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129300","29.9363","0.0005","29.9363","0.0005","29.9363","0.0005","90","","90","","90","","26828.4","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C83 H90 O13 Zn4 -","- C83 H90 O13 Zn4 -","- C498 H540 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0404","0.0389","","","0.1145","0.1157","","","","","","1.096","","","","has coordinates,has disorder","240048","2020-10-21","18:00:00",""
"4129301","29.8614","0.0005","29.8614","0.0005","29.8614","0.0005","90","","90","","90","","26627.5","0.8","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C99 H122 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0921","0.0786","","","0.248","0.2602","","","","","","1.069","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129302","29.8116","0.0015","29.8116","0.0015","29.8116","0.0015","90","","90","","90","","26495","2","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C115 H154 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.0964","0.0803","","","0.2579","0.2756","","","","","","1.104","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4129303","29.8062","0.0003","29.8062","0.0003","29.8062","0.0003","90","","90","","90","","26480.1","0.5","293","2","293","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- C131 H186 O13 Zn4 -","- C75 H74 O13 Zn4 -","- C450 H444 O78 Zn24 -","6","0.25","","Liu, Lujia; Telfer, Shane G.","Systematic ligand modulation enhances the moisture stability and gas sorption characteristics of quaternary metal-organic frameworks.","Journal of the American Chemical Society","2015","137","11","3901","3909","10.1021/jacs.5b00365","","","1.54178","CuKα","","0.1171","0.1115","","","0.3743","0.3777","","","","","","1.096","","","","has coordinates","240048","2020-10-21","18:00:00",""
"4131647","29.9444","0.0006","29.9444","0.0006","29.9444","0.0006","90","","90","","90","","26850.2","0.9","290","2","290","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C64 H50 N O14.5 Zn4 -","- C64 H50 N O14.5 Zn4 -","- C384 H300 N6 O87 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0795","0.0681","","","0.1865","0.1946","","","","","","1.07","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131648","29.9461","0.0003","29.9461","0.0003","29.9461","0.0003","90","","90","","90","","26854.7","0.5","291","2","291","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C61.5 H46 N O13.5 Zn4 -","- C61.5 H46 N O13.5 Zn4 -","- C369 H276 N6 O81 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0414","0.0372","","","0.1034","0.117","","","","","","1.083","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4131649","29.9603","0.0003","29.9603","0.0003","29.9603","0.0003","90","","90","","90","","26893","0.5","293","2","293","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C61.5 H46 N O13.5 Zn4 -","- C61.5 H46 N O13.5 Zn4 -","- C369 H276 N6 O81 Zn24 -","6","0.25","","Liu, Lujia; Zhou, Tian-You; Telfer, Shane G.","Modulating the Performance of an Asymmetric Organocatalyst by Tuning Its Spatial Environment in a Metal-Organic Framework.","Journal of the American Chemical Society","2017","139","39","13936","13943","10.1021/jacs.7b07921","","","1.54178","CuKα","","0.0395","0.0364","","","0.1615","0.1649","","","","","","1.409","","","","has coordinates,has disorder","241823","2020-10-21","18:00:00",""
"4135394","10.5457","0.0002","10.5457","0.0002","10.5457","0.0002","90","","90","","90","","1172.81","0.04","298","","298","","","","101","","","","synthetic","3","P m -3","-P 2 2 3","200","Fe-THQ","Fe-THQ","","- C18 Fe4 O24 -","- C18 Fe4 O24 -","- C36 Fe8 O48 -","2","0.0833333","","Chen, Gan; Gee, Leland B.; Xu, Wenqian; Zhu, Yanbing; Lezama-Pacheco, Juan S; Huang, Zhehao; Li, Zongqi; Babicz, Jr, Jeffrey T; Choudhury, Snehashis; Chang, Ting-Hsiang; Reed, Evan; Solomon, Edward I.; Bao, Zhenan","Valence-Dependent Electrical Conductivity in a 3D Tetrahydroxyquinone-Based Metal-Organic Framework.","Journal of the American Chemical Society","2020","142","51","21243","21248","10.1021/jacs.0c09379","powder diffraction","x-ray","0.44811","Synchrotronmono-beam","","","","","","","","0.0695","","4.485","","","","","","","has coordinates","260421","2021-01-04","03:10:05",""
"4301986","9.977718","0.000025","9.977718","","9.977718","","90","","90","","90","","993.33","0.002","295","2","295","2","","","","","","","","3","P m -3","-P 2 2 3","200","silicon-phosphorus telluride","silicon-phosphorus telluride","","- P14.6 Si31.4 Te7.3 -","- P14.5999 Si31.4002 Te7.316 -","- P14.5999 Si31.4002 Te7.316 -","1","0.0416667","","J. V. Zaikina; K. A. Kovnir; U. Burkhardt; W. Schnelle; F. Haarmann; U. Schwarz; Yu. Grin; A. V. Shevelkov","Cationic Clathrate I Si46-xPxTey(6.6(1) <= y <= 7.5(1), x <= 2y): Crystal Structure, Homogeneity Range, and Physical Properties","Inorganic Chemistry","2009","48","","3720","3730","10.1021/ic8023887","powder diffraction","neutron","2.3985","neutron","","","","","","","","0.04067","","1.41","","","","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4301987","9.976551","0.000024","9.976551","","9.976551","","90","","90","","90","","992.982","0.002","295","2","295","2","","","","","","","","3","P m -3","-P 2 2 3","200","silicon-phosphorus telluride","silicon-phosphorus telluride","","- P14.6 Si31.4 Te7.4 -","- P14.603 Si31.397 Te7.421 -","- P14.603 Si31.397 Te7.421 -","1","0.0416667","","J. V. Zaikina; K. A. Kovnir; U. Burkhardt; W. Schnelle; F. Haarmann; U. Schwarz; Yu. Grin; A. V. Shevelkov","Cationic Clathrate I Si46-xPxTey(6.6(1) <= y <= 7.5(1), x <= 2y): Crystal Structure, Homogeneity Range, and Physical Properties","Inorganic Chemistry","2009","48","","3720","3730","10.1021/ic8023887","powder diffraction","neutron","2.3985","neutron","","","","","","","","0.02488","","1.37","","","","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4305948","13.674","0.0011","13.674","0.0011","13.674","0.0011","90","","90","","90","","2556.7","0.4","295","","295","","","","","","","","","3","P m -3","-P 2 2 3","200","","","","- Hf1.136 Mg4.215 Zn21.076 -","- Hf1.136 Mg4.21433 Zn21.0763 -","- Hf6.816 Mg25.286 Zn126.458 -","6","0.25","","Cesar Pay Gómez; Satoshi Ohhashi; Akiji Yamamoto; An Pang Tsai","Disordered Structures of the TM-Mg-Zn 1/1 Quasicrystal Approximants (TM = Hf, Zr, or Ti) and Chemical Intergrowth","Inorganic Chemistry","2008","47","","8258","8266","10.1021/ic800874u","","","0.71069","MoKα","","0.0735","0.0373","","","0.0688","0.0726","","","","1.9","1.9","1.55","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4305949","13.709","0.0005","13.709","0.0005","13.709","0.0005","90","","90","","90","","2576.42","0.16","295","","295","","","","","","","","","3","P m -3","-P 2 2 3","200","","","","- Mg3.946 Zn21.336 Zr1.149 -","- Mg3.94567 Zn21.3317 Zr1.14933 -","- Mg23.674 Zn127.99 Zr6.896 -","6","0.25","","Cesar Pay Gómez; Satoshi Ohhashi; Akiji Yamamoto; An Pang Tsai","Disordered Structures of the TM-Mg-Zn 1/1 Quasicrystal Approximants (TM = Hf, Zr, or Ti) and Chemical Intergrowth","Inorganic Chemistry","2008","47","","8258","8266","10.1021/ic800874u","","","0.71069","MoKα","","0.1043","0.058","","","0.1003","0.1108","","","","2.05","2.05","1.6","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4305950","13.5541","0.0008","13.5541","0.0008","13.5541","0.0008","90","","90","","90","","2490.1","0.3","295","","295","","","","","","","","","3","P m -3","-P 2 2 3","200","","","","- Mg3.994 Ti1.361 Zn20.968 -","- Mg3.99267 Ti1.36133 Zn20.9647 -","- Mg23.956 Ti8.168 Zn125.788 -","6","0.25","","Cesar Pay Gómez; Satoshi Ohhashi; Akiji Yamamoto; An Pang Tsai","Disordered Structures of the TM-Mg-Zn 1/1 Quasicrystal Approximants (TM = Hf, Zr, or Ti) and Chemical Intergrowth","Inorganic Chemistry","2008","47","","8258","8266","10.1021/ic800874u","","","0.71069","MoKα","","0.0476","0.0362","","","0.081","0.0847","","","","1.69","1.69","1.55","","","","has coordinates","179097","2020-10-21","18:00:00",""
"4330809","9.9863","0.0004","9.9863","0.0004","9.9863","0.0004","90","","90","","90","","995.9","0.07","298","","298","","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- Br1.52 P13.54 Si32.46 Te6.01 -","- Br1.454 P20 Si26 Te6.04 -","- Br1.454 P20 Si26 Te6.04 -","1","0.0416667","","Nikolay S. Abramchuk; Wilder Carrillo-Cabrera; Igor Veremchuk; Niels Oeschler; Andrei V. Olenev; Yurii Prots; Ulrich Burkhardt; Evgeny V. Dikarev; Yuri Grin; Andrei V. Shevelkov","Homo- and Heterovalent Substitutions in the New Clathrates I Si30P16Te8-xSex and Si30+xP16-xTe8-xBrx: Synthesis, Crystal Structure, and Thermoelectric Properties","Inorganic Chemistry","2012","51","","11396","11405","10.1021/ic3010097","","","0.71073","MoKα","","0.0309","0.0306","","","0.0833","0.0834","","","","","","1.461","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331310","15.0155","0.0009","15.0155","0.0009","15.0155","0.0009","90","","90","","90","","3385.5","0.4","100","2","100","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- H20 Lu Na5 O42 Pd12 Se8 -","- Lu Na2.66667 O36.88 Pd12 Se8 -","- Lu3 Na8 O110.64 Pd36 Se24 -","3","0.125","","Maria Barsukova-Stuckart; Natalya V. Izarova; Ryan A. Barrett; Zhenxing Wang; Johan van Tol; Harold W. Kroto; Naresh S. Dalal; Pablo Jiménez-Lozano; Jorge J. Carbó; Josep M. Poblet; Marc S. von Gernler; Thomas Drewello; Pedro de Oliveira; Bineta Keita; Ulrich Kortz","Polyoxopalladates Encapsulating 8-Coordinated Metal Ions, [MO8PdII12L8]n- (M = Sc3+, Mn2+, Fe3+, Co2+, Ni2+, Cu2+, Zn2+, Lu3+; L = PhAsO32-, PhPO32-, SeO32-)","Inorganic Chemistry","2012","51","","13214","13228","10.1021/ic301537n","","","0.71073","MoKα","","0.059","0.0502","","","0.1178","0.1217","","","","","","1.169","","","","has coordinates","179416","2020-10-21","18:00:00",""
"4349192","14.906","0.002","14.906","0.002","14.906","0.002","90","","90","","90","","3311.9","0.8","173","","173","","","","","","","","","7","P m -3","-P 2 2 3","200","","Tris(bis(acetonitrile)-tetraaqua nickel (II))-tetrakis(μ~3~-oxo)-tetrakis(μ~3~-hydroxo) dodecakis(μ-κ^1^:κ^1^trifluoroacetato) hexakisbismuth water solvate","","- C42 H66 Bi6 F36 N6 Ni3 O64 -","- C42 H66 Bi6 F36 N6 Ni3 O64 -","- C42 H66 Bi6 F36 N6 Ni3 O64 -","1","0.0416667","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0442","0.041","","","0.1205","0.1227","","","","","","1.212","","","","has coordinates","233689","2020-10-21","18:00:00",""
"4349193","14.8825","0.0003","14.8825","0.0003","14.8825","0.0003","90","","90","","90","","3296.31","0.12","173","","173","","","","","","","","","7","P m -3","-P 2 2 3","200","","Tris(bis(acetonitrile)-tetraaqua cobalt (II))-tetrakis(μ~3~-oxo)-tetrakis(μ~3~-hydroxo) dodecakis(μ-κ^1^:κ^1^trifluoroacetato) hexakisbismuth(III) water solvate","","- C42 H66 Bi6 Co3 F36 N6 O64 -","- C42 H66 Bi6 Co3 F36 N6 O64 -","- C42 H66 Bi6 Co3 F36 N6 O64 -","1","0.0416667","","Loera Fernandez, Ismael I.; Donaldson, Samantha L.; Schipper, Desmond E.; Andleeb, Sohaila; Whitmire, Kenton H.","Anionic Bismuth-Oxido Carboxylate Clusters with Transition Metal Countercations.","Inorganic chemistry","2016","55","21","11560","11569","10.1021/acs.inorgchem.6b02092","","","0.71073","MoKα","","0.0558","0.048","","","0.1393","0.1452","","","","","","1.109","","","","has coordinates","233689","2020-10-21","18:00:00",""
"6000192","10.64","","10.64","","10.64","","90","","90","","90","","1204.55","","","","","","","","","","","","","5","P m -3","","","","","","- H40 K3 Nb4 O62 W3 -","","","","","","Lin, B. F.; Zhu, S. S.; Xie, G. Y.; Chen, J.; Hu, C. H.","Prepare and structure determination of potassium peroxyniobatungstate","Chinese Journal of Inorganic Chemistry","1999","15","","78","82","","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7020258","29.8427","0.0009","29.8427","0.0009","29.8427","0.0009","90","","90","","90","","26577.5","1.4","296","2","296","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C72 H44 N4 Ni7 O36 -","- C72 H44 N4 Ni7 O36 -","- C432 H264 N24 Ni42 O216 -","6","0.25","","Ren, Guojian; Liu, Shuxia; Wei, Feng; Ma, Fengji; Tang, Qun; Li, Shujun","A polyhedron-based metal-organic framework with a reo-e net.","Dalton transactions (Cambridge, England : 2003)","2012","41","38","11562","11564","10.1039/c2dt31122d","","","0.71073","MoKα","","0.1065","0.0637","","","0.1732","0.1884","","","","","","1.026","","","","has coordinates,has disorder","179906","2020-10-21","18:00:00",""
"7118758","21.2111","0.0008","21.2111","0.0008","21.2111","0.0008","90","","90","","90","","9543.1","0.6","100","2","100","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 Ge3 N32 -","- C160.001 H112.001 Cu6 F18 Ge3 N31.9992 -","- C160.001 H112.001 Cu6 F18 Ge3 N31.9992 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.159","0.1513","","","0.4423","0.4511","","","","","","2.098","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7118759","21.1882","0.0004","21.1882","0.0004","21.1882","0.0004","90","","90","","90","","9512.2","0.3","446","2","446","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 N32 Si3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Si3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Si3 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.195","0.1719","","","0.4021","0.4091","","","","","","2.772","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7118760","21.2379","0.001","21.2379","0.001","21.2379","0.001","90","","90","","90","","9579.3","0.8","100","2","100","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 N32 Sn3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Sn3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Sn3 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.2349","0.1653","","","0.4324","0.4636","","","","","","1.34","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7118761","21.2174","0.0008","21.2174","0.0008","21.2174","0.0008","90","","90","","90","","9551.6","0.6","100","2","100","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 N32 Ti3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Ti3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Ti3 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.2601","0.1732","","","0.4334","0.4642","","","","","","1.49","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7118762","21.165","0.002","21.165","0.002","21.165","0.002","90","","90","","90","","9481","1.6","102","2","102","2","","","","","","","","6","P m -3","-P 2 2 3","200","","","","- C160 H112 Cu6 F18 N32 Zr3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Zr3 -","- C160.001 H112.001 Cu6 F18 N31.9992 Zr3 -","1","0.0416667","","Lusi, Matteo; Fechine, Pierre B. A.; Chen, Kai-Jie; Perry, John J.; Zaworotko, Michael J.","A rare cationic building block that generates a new type of polyhedral network with ""cross-linked"" pto topology.","Chemical communications (Cambridge, England)","2016","52","22","4160","4162","10.1039/c5cc10203k","","","1.54178","CuKα","","0.3057","0.2351","","","0.5086","0.5336","","","","","","1.861","","","","has coordinates,has disorder","181529","2020-10-21","18:00:00",""
"7217052","31.102","0.004","31.102","0.004","31.102","0.004","90","","90","","90","","30086","7","100","2","100","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C288 H200 N32 O172 Zn28 -","- C288 H144 N24 O148 Zn28 -","- C288 H144 N24 O148 Zn28 -","1","0.0416667","","Kim, Dongwook; Liu, Xinfang; Oh, Minhak; Song, Xiaokai; Zou, Yang; Singh, Devendra; Kim, Kwang S.; Lah, Myoung Soo","Isoreticular MOFs based on a rhombic dodecahedral MOP as a tertiary building unit","CrystEngComm","2014","16","28","6391","","10.1039/c4ce00017j","","","1","synchrotron","","0.1366","0.1101","","","0.266","0.2876","","","","","","1.062","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7234016","25.3148","0.0004","25.3148","0.0004","25.3148","0.0004","90","","90","","90","","16222.7","0.4","150","2","150","2","","","","","","","","5","P m -3","-P 2 2 3","200","","","","- C44 H65 Cu2 N7 O18 -","- C23 H12 Cu2 O11 -","- C276 H144 Cu24 O132 -","12","0.5","","He, Minghui; Gao, Xiaoxia; Xu, Tingting; Jiang, Zhenzhen; He, Yabing","Tailoring the structures and gas adsorption properties of copper-bent diisophthalate frameworks by substituent-driven ligand conformation regulation strategy","CrystEngComm","2019","","","","","10.1039/C9CE01018A","","","0.71073","MoKα","","0.147","0.1166","","","0.3343","0.3882","","","","","","1.021","","","","has coordinates","218645","2020-10-21","18:00:00",""
"7701679","6.9858","0.0005","6.9858","0.0005","6.9858","0.0005","90","","90","","90","","340.92","0.04","296","2","296","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- Ba Cu5.79 Se0.61 Te6.39 -","- Ba Cu5.792 Se0.61 Te6.39 -","- Ba Cu5.792 Se0.61 Te6.39 -","1","0.0416667","","Jafarzadeh, Parisa; Rodrigues, Maegan R.; Shi, Yixuan; Assoud, Abdeljalil; Zou, Tianze; Kycia, Jan B.; Kleinke, Holger","Effect of mixed occupancies on the thermoelectric properties of BaCu<sub>6-x</sub>Se<sub>1-y</sub>Te<sub>6+y</sub> polychalcogenides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9357","9364","10.1039/c9dt01616c","","","0.71073","MoKα","","0.0362","0.0255","","","0.0356","0.0376","","","","","","1.148","","","","has coordinates","223333","2020-10-21","18:00:00",""
"7701680","6.9819","0.0006","6.9819","0.0006","6.9819","0.0006","90","","90","","90","","340.35","0.05","296","2","296","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- Ba Cu5.74 Se0.69 Te6.31 -","- Ba Cu5.744 Se0.689 Te6.309 -","- Ba Cu5.744 Se0.689 Te6.309 -","1","0.0416667","","Jafarzadeh, Parisa; Rodrigues, Maegan R.; Shi, Yixuan; Assoud, Abdeljalil; Zou, Tianze; Kycia, Jan B.; Kleinke, Holger","Effect of mixed occupancies on the thermoelectric properties of BaCu<sub>6-x</sub>Se<sub>1-y</sub>Te<sub>6+y</sub> polychalcogenides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9357","9364","10.1039/c9dt01616c","","","0.71073","MoKα","","0.0197","0.0149","","","0.0248","0.0259","","","","","","1.089","","","","has coordinates","223333","2020-10-21","18:00:00",""
"7701681","6.9966","0.0009","6.9966","0.0009","6.9966","0.0009","90","","90","","90","","342.5","0.08","296","2","296","2","","","","","","","","4","P m -3","-P 2 2 3","200","","","","- Ba Cu5.74 Se0.43 Te6.57 -","- Ba Cu5.736 Se0.43 Te6.571 -","- Ba Cu5.736 Se0.43 Te6.571 -","1","0.0416667","","Jafarzadeh, Parisa; Rodrigues, Maegan R.; Shi, Yixuan; Assoud, Abdeljalil; Zou, Tianze; Kycia, Jan B.; Kleinke, Holger","Effect of mixed occupancies on the thermoelectric properties of BaCu<sub>6-x</sub>Se<sub>1-y</sub>Te<sub>6+y</sub> polychalcogenides.","Dalton transactions (Cambridge, England : 2003)","2019","48","25","9357","9364","10.1039/c9dt01616c","","","0.71073","MoKα","","0.0102","0.0101","","","0.0241","0.0242","","","","","","1.065","","","","has coordinates","223333","2020-10-21","18:00:00",""
"8102976","9.9702","0.0003","9.9702","0.0003","9.9702","0.0003","90","","90","","90","","991.09","0.05","295","2","295","2","","","","","","","","3","P m -3","-P 2 2 3","200","silicon-phosphorus telluride","silicon-phosphorus telluride","","- P14.7 Si31.3 Te7.35 -","- P14.7 Si31.3 Te7.3472 -","- P14.7 Si31.3 Te7.3472 -","1","0.0416667","","Zaikina, Julia V.; Kovnir, Kirill A.; Schwarz, Ulrich; Borrmann, Horst; Shevelkov, Andrei V.","Crystal structure of silicon phosphorus telluride, Si~46-x~P~x~Te~y~ (y = 7.35, 6.98, 6.88; x ≤ 2y), a cationic clathrate-I","Zeitschrift für Kristallographie - New Crystal Structures","2007","222","3","177","180","","","","0.5608","AgKα","","0.0173","0.016","","","0.0363","0.0366","","","","","","1.319","","","","has coordinates","176728","2020-10-21","18:00:00",""
"9012613","4.588","","4.588","","4.588","","90","","90","","90","","96.576","","","","","","","","","","","","Synthetic","1","P m -3","-P 2 2 3","200","","","Chromium","- Cr -","- Cr -","- Cr8 -","8","0.333333","","Kimoto, K.; Nishida, I.","An electron diffraction study on the crystal structure of a new modification of chromium","Journal of the Physical Society of Japan","1967","22","","744","756","10.1143/JPSJ.22.744","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9016620","21.9148","","21.9148","","21.9148","","90","","90","","90","","10524.8","","","","","","","","","","","","moraine of the Darai-Pioz glacier, Alai mountain ridge,","14","P m -3","-P 2 2 3","200","","","Mendeleevite-(Ce)","- Ca4.68 Ce11.4 Cs6 F6.76 Gd0.24 H46.02 K2.22 La5.82 Nd3.18 O203.11 Pr1.56 Si70 Sm0.36 Sr1.02 -","- Ca4.68 Ce11.4 Cs6 F6.76 Gd0.24 H35.82 K2.22 La5.82 Nd3.18 O203.11 Pr1.56 Si70 Sm0.36 Sr1.02 -","- Ca9.36 Ce22.8 Cs12 F13.52 Gd0.48 H71.64 K4.44 La11.64 Nd6.36 O406.22 Pr3.12 Si140 Sm0.72 Sr2.04 -","2","0.0833333","","Sokolova, E.; Hawthorne, F. C.; Pautov, L. A.; Agakhanov, A. A.; Karpenko, V. Y.","The crystal structure and crystal chemistry of mendeleevite-(Ce), (Cs,_)6(_,Cs)6(_,K)6(REE,Ca,_)30(Si70O175)(H2O,OH,F,_)35, a potential microporous material Tien-Shan mountains, northern Tajikistan","Mineralogical Magazine","2011","75","","2583","2596","10.1180/minmag.2011.075.5.2583","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:52",""