# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T09:39:22+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'I 41/a c d :1' 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
"1008324","13.772","0.002","13.772","0.002","27.544","0.004","90","","90","","90","","5224.2","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Terbium rhodium tin (5/6/17.6)","","- Rh6 Sn17.6 Tb5 -","- Rh6 Sn17.6 Tb5 -","- Rh48 Sn140.8 Tb40 -","8","0.25","","Miraglia, S; Hodeau, J L; de Bergevin, F; Marezio, M","Structural studies by electron and X-ray diffraction of the disordered phases II: (Sn~1-x~Tb~x~)Tb~4~Rh~6~Sn~18~ and (Sn~1- x~Dy~X~)Dy~4~Os~6~Sn~18~","Acta Crystallographica B (39,1983-)","1987","43","","76","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008661","5.4994","0.0001","5.4994","0.0001","25.78409","0.0008","90","","90","","90","","779.8","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Distrontium iridium(IV) oxide","","- Ir O4 Sr2 -","- Ir O4 Sr2 -","- Ir8 O32 Sr16 -","8","0.25","","Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr","Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K","Journal of Solid State Chemistry","1994","112","","355","361","10.1006/jssc.1994.1316","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008662","5.48463","0.00009","5.48463","0.00009","25.7977","0.0007","90","","90","","90","","776","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Distrontium iridium(IV) oxide","","- Ir O4 Sr2 -","- Ir O4 Sr2 -","- Ir8 O32 Sr16 -","8","0.25","","Huang, Q; Soubeyroux, J L; Chmaissem, O; Natali Sora, I; Santoro, A; Cava, R J; Krajewski, J J; Peck, W F jr","Neutron powder diffraction study of the crystal structures of Sr~2~RuO~4~ and Sr~2~IrO~4~ at room temperature and at 10K","Journal of Solid State Chemistry","1994","112","","355","361","10.1006/jssc.1994.1316","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1011123","13.74","","13.74","","13.74","","90","","90","","90","","2593.9","","","","","","","","","","","","from Elba, Italy","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","Caesium tecto-alumodisilicate","Pollucite","- Al Cs O6 Si2 -","- Al Cs O6 Si2 -","- Al16 Cs16 O96 Si32 -","16","0.5","","Náray-Szabó, St. v.","Die Struktur des Pollucits CsAlSi~2~O~6~*xH~2~O","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","277","282","10.1524/zkri.1938.99.1.277","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1510519","5.586","","5.586","","33.4","","90","","90","","90","","1042.19","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- Au3 Zn -","- Au3 Zn -","- Au48 Zn16 -","16","0.5","","Iwasaki, H.","Study on the ordered phases with long period in the gold-zinc alloy system. II. Structure analysis of Au3 Zn (R1), Au3 Zn (R2) and Au3+Zn","Journal of the Physical Society of Japan","1962","17","","1620","1633","10.1143/JPSJ.17.1620","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510965","7.48","","7.48","","14.88","","90","","90","","90","","832.542","","","","","","","","","","","","","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","(Rh17 Ru3 Y5 B20)1.6","","- B32 Rh27.2 Ru4.8 Y8 -","- B32 Rh27.2 Ru4.8 Y8 -","- B32 Rh27.2 Ru4.8 Y8 -","1","0.03125","","Bevolo, A.J.; Hamaker, H.C.; Jacobson, R.A.; Horng, H.E.; Bader, S.D.; Richardson, J.W.jr.; Shelton, R.N.","Charge transfer and transition-metal cluster: Boron bonding in the bct superconducting Y (Rh1-x Rux)4 B4 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","6703","6712","10.1103/PhysRevB.27.6703","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510966","7.46","","7.46","","14.975","","90","","90","","90","","833.383","","","","","","","","","","","","","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","(Rh4 Ru16 Y5 B20)1.6","","- B32 Rh6.4 Ru25.6 Y8 -","- B32 Rh6.4 Ru25.6 Y8 -","- B32 Rh6.4 Ru25.6 Y8 -","1","0.03125","","Hamaker, H.C.; Jacobson, R.A.; Bevolo, A.J.; Bader, S.D.; Horng, H.E.; Shelton, R.N.; Richardson, J.W.jr.","Charge transfer and transition-metal cluster: Boron bonding in the bct superconducting Y(Rh1-x Rux)4 B4 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","6703","6712","10.1103/PhysRevB.27.6703","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511513","7.448","","7.448","","15","","90","","90","","90","","832.091","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Ru4 Y B4","","- B4 Ru4 Y -","- B4 Ru4 Y -","- B32 Ru32 Y8 -","8","0.25","","Horng, H.E.; Bevolo, A.J.; Richardson, J.W.jr.; Hamaker, H.C.; Shelton, R.N.; Jacobson, R.A.; Bader, S.D.","Charge transfer and transition-metal cluster: Boron bonding in the bct superconducting Y (Rh1-x Rux)4 B4 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","6703","6712","10.1103/PhysRevB.27.6703","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1523826","11.42","","11.42","","18.57","","90","","90","","90","","2421.83","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- K Sn -","- K Sn -","- K32 Sn32 -","32","1","","Hewaidy, I.F.; Klemm, W.; Busmann, E.","Die Struktur der A B-Verbindungen der schweren Alkalimetalle mit Zinn und Blei","Zeitschrift fuer Anorganische und Allgemeine Chemie","1964","328","","283","293","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527961","15.3","","15.3","","10.2","","90","","90","","90","","2387.72","","","","","","","","","","","","","5","I 41/a c d :1","I 4bw 2aw -1bw","142","","Ca1.8125 Zr5.1625 Ti1.725 Fe0.275 O16","","- Ca1.8125 Fe0.275 O16 Ti1.725 Zr5.1625 -","- Ca1.8126 Fe0.275 O16 Ti1.725 Zr5.16 -","- Ca14.5008 Fe2.2 O128 Ti13.8 Zr41.28 -","8","0.25","","Pyatenko, Yu.A.; Pudovkina, Z.V.","The crystal structure of calcirtite; a new derivative structure of Ca F2 - Ce O2 type","Kristallografiya","1961","6","","196","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538959","10.664","","10.664","","18.989","","90","","90","","90","","2159.45","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Yb (P S4)","","- P S4 Yb -","- P S4 Yb -","- P16 S64 Yb16 -","16","0.5","","Palkina, K.K.; Chibiskova, N.T.; Maksimova, S.I.; Kuvshinova, T.B.; Tripol'skaya, T.A.","The crystal structure of Yb P S4","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1989","25","","1315","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539087","12.718","","12.718","","13.376","","90","","90","","90","","2163.53","","","","","","","","","","","","","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","Na2 U O2 Si O4","","- Na2 O6 Si U -","- Na2 O6 Si U -","- Na32 O96 Si16 U16 -","16","0.5","","Shashkin, D.P.; Belov, N.V.; Lur'e, E.A.","Crystal structure of Na2 O U2 Si O4","Kristallografiya","1974","19","","958","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541942","6.743","","6.743","","12.674","","90","","90","","90","","576.262","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","Na2 C2","","- C2 Na2 -","- C2 Na2 -","- C16 Na16 -","8","0.25","","Atoji, M.","Crystal structure determination of disodium acetylide, Na2 C2, by neutron diffraction","Journal of Chemical Physics","1974","60","","3324","3327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2002525","12.4952","0.002","12.4952","0.002","8.3331","0.0033","90","","90","","90","","1301","","","","","","","","","","","","","5","I 41/a c d :1","I 4bw 2aw -1bw","142","","Barium copper magnesium bis(vanadate)","","- Ba Cu Mg O8 V2 -","- Ba Cu Mg O8 V2 -","- Ba8 Cu8 Mg8 O64 V16 -","8","0.25","","Vogt, R; Mueller-Buschbaum, Hk","Zur Kenntnis von (Ba0.5 Sr0.5) Cu2 V2 O8 und Ba (Cu Mg) V2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","602","","149","154","10.1002/zaac.19916020116","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002585","12.4524","0.0057","12.4524","0.0057","8.4408","0.0036","90","","90","","90","","1308.8","","","","","","","","","","","","","5","I 41/a c d :1","I 4bw 2aw -1bw","142","","Barium magnesium zinc bis(vanadate)","","- Ba Mg O8 V2 Zn -","- Ba Mg O8 V2 Zn -","- Ba8 Mg8 O64 V16 Zn8 -","8","0.25","","Postel, M von; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba (Mg Zn) V2 O8, Ba Mn2 V2 O8 und Ba1/2 Sr1/2 Ni2 V2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","615","","97","100","10.1002/zaac.19926150919","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002586","12.5563","0.0014","12.5563","0.0014","8.5942","0.0009","90","","90","","90","","1355","","","","","","","","","","","","","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","Barium dimanganese bis(vanadate)","","- Ba Mn2 O8 V2 -","- Ba Mn2 O8 V2 -","- Ba8 Mn16 O64 V16 -","8","0.25","","Postel, M von; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba (Mg Zn) V2 O8, Ba Mn2 V2 O8 und Ba1/2 Sr1/2 Ni2 V2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","615","","97","100","10.1002/zaac.19926150919","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002587","12.2248","0.002","12.2248","0.002","8.3245","0.0015","90","","90","","90","","1244.1","","","","","","","","","","","","","5","I 41/a c d :1","I 4bw 2aw -1bw","142","","Hemibarium hemistrontium dinickel bis(vanadate)","","- Ba0.5 Ni2 O8 Sr0.5 V2 -","- Ba0.5 Ni2 O8 Sr0.5 V2 -","- Ba4 Ni16 O64 Sr4 V16 -","8","0.25","","Postel, M von; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba (Mg Zn) V2 O8, Ba Mn2 V2 O8 und Ba1/2 Sr1/2 Ni2 V2 O8","Zeitschrift fuer Anorganische und Allgemeine Chemie","1992","615","","97","100","10.1002/zaac.19926150919","","","","","","0.057","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106150","13.73","","13.73","","27.42","","90","","90","","90","","5169.02","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- Er4.32 Rh6 Sn18.68 -","- Er4.32 Rh6 Sn18.68 -","- Er34.56 Rh48 Sn149.44 -","8","0.25","","Hodeau, J.L.; Marezio, M.; Remeika, J.P.","The structure of (Er1-x Snx) Er4 Rh6 Sn4 Sn12 Sn2, a ternary reentrant superconductor","Acta Crystallographica B (39,1983-)","1984","40","","26","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310225","10.58","","10.58","","17.746","","90","","90","","90","","1986.42","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- Na Pb -","- Na Pb -","- Na32 Pb32 -","32","1","","Marsh, R.E.; Shoemaker, D.P.","The crystal structure of Na Pb","Acta Crystallographica (1,1948-23,1967)","1953","6","","197","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4500993","23.4246","0.0006","23.4246","0.0006","21.3264","0.0012","90","","90","","90","","11702","0.8","130","2","130","2","","","","","","","","5","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- C50 H104 Mn2 N2 O25 -","- C18 H6 Mn2 O12 -","- C144 H48 Mn16 O96 -","8","0.25","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1509","0.1252","","","0.3471","0.3675","","","","","","1.196","","","","has coordinates","179540","2020-10-21","18:00:00",""
"7221232","10.46","","10.46","","17.39","","90","","90","","90","","1902.67","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- Na Sn -","- Na Sn -","- Na32 Sn32 -","32","1","","Mueller, W.; Volk, K.","Die Struktur des beta - Na Sn","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","709","710","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"8104393","11.389","","11.389","","21.773","","90","","90","","90","","2824.16","","","","","","","","","","","","","2","I 41/a c d :1","I 4bw 2aw -1bw","142","","Zn Br2","","- Br2 Zn -","- Br2 Zn -","- Br64 Zn32 -","32","1","","Chieh, C.; White, M.A.","Crystal structure of anhydrous zinc bromide","Zeitschrift fuer Kristallographie (149,1979-)","1984","166","","189","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9001012","15.094","","15.094","","10.043","","90","","90","","90","","2288.08","","","","","","","","","","","","","6","I 41/a c d :1","I 4bw 2aw -1bw","142","","","Calzirtite","- Ca Fe0.1 Nb0.15 O8 Ti0.75 Zr2.5 -","- Ca Fe0.1 Nb0.15 O8 Ti0.75 Zr2.5 -","- Ca16 Fe1.6 Nb2.4 O128 Ti12 Zr40 -","16","0.5","","Sinclair, W.; Eggleton, R. A.; McLaughlin, G. M.","Structure refinement of calzirtite from Jacupiranga, Brazil","American Mineralogist","1986","71","","815","818","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9014541","15.3","","15.3","","10.2","","90","","90","","90","","2387.72","","","","","","","","","","","","Gornoe Ozero alkaline-ultrabasic Massif, Yakutia, Russia","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","","Calcirtite","- Ca2 O16 Ti2 Zr5 -","- Ca16 O128 Ti16 Zr40 -","- Ca16 O128 Ti16 Zr40 -","","","","Pyatenko, Y. A.; Pudovkina, Z. V.","The crystal structure of calcirtite; a new derivative structure of CaF2-CeO2 type Note: ideal structure","Soviet Physics Crystallography","1961","6","","155","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017595","10.9867","","10.9867","","32.9271","","90","","90","","90","","3974.55","","","","","","","","","","","","Jachymov, Czech Republic","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","","Stepite","- As2 H10 O12 U -","- As2 H10 O12 U -","- As32 H160 O192 U16 -","16","0.5","","Plasil, J.; Fejfarova, K.; Hlousek, J.; Skoda, R.; Novak, M.; Sejkora, J.; Cejka, J.; Dusek, M.; Veselovsky, F.; Ondrus, P.; Majzlan, J.; Mrazek, Z.","Stepite, U(AsO3OH)2*4H2O, from Jachymov, Czech Republic: the first natural arsenate of tetravalent uranium","Mineralogical Magazine","2013","77","","137","152","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""