# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-30T12:16:24+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 4/m' 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
"1001688","8.6475","0.0001","8.6475","0.0001","3.8594","0.0001","90","","90","","90","","288.6","","","","","","","","","","","","","4","P 4/m","-P 4","83","","Barium lanthanum copper oxide (1/4/5/13.16)","","- Ba Cu5 La4 O13.16 -","- Ba Cu5 La4 O13.12 -","- Ba Cu5 La4 O13.12 -","1","0.125","","Michel, C; Er Rakho, L; Hervieu, M; Pannetier, J; Raveau, B","Ba La4 Cu5 O13+d, an oxygen-deficient perovskite built pu from corner- sharing Cu O6 octahedra and Cu O5 pyramids","Journal of Solid State Chemistry","1987","68","","143","152","10.1016/0022-4596(87)90297-0","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001714","8.7949","0.0002","8.7949","0.0002","3.7848","0.0001","90","","90","","90","","292.8","","","","","","","","","","","","","4","P 4/m","-P 4","83","","Pentastrontium tetramanganese(III) carbonate decaoxide","","- C Mn4 O13 Sr5 -","- C Mn4 O13 Sr5 -","- C Mn4 O13 Sr5 -","1","0.125","","Caignaert, V; Domenges, B; Raveau, B","Synthesis and structure of a new oxycarbonate, Sr5 Mn4 C O3 O10, closely related to the perovskite structure","Journal of Solid State Chemistry","1995","120","","279","289","10.1006/jssc.1995.1410","","","","","","0.061","","","","","","","","","","","","","","","has coordinates","208902","2020-10-21","18:00:00",""
"1001854","8.644","0.004","8.644","0.004","3.867","0.003","90","","90","","90","","288.9","","","","","","","","","","","","","4","P 4/m","-P 4","83","","Barium tetralanthanum pentacopper 13.4-oxide","","- Ba Cu5 La4 O13.4 -","- Ba Cu5 La4 O13.395 -","- Ba Cu5 La4 O13.395 -","1","0.125","","Michel, C; Er-Rakho, L; Raveau, B","The oxygen defect perovskite Ba La4 Cu5 O13.4, a metallic conductor","Materials Research Bulletin","1985","20","","667","671","10.1016/0025-5408(85)90144-8","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010565","7.78","","7.78","","11.41","","90","","90","","90","","690.6","","","","","","","","","","","","","3","P 4/m","-P 4","83","","Iron(III) niobium oxide","Fergusonite titanian","- Fe Nb O4 -","","","8","1","","Barth, T","The structure of Risorite","Norsk Geologisk Tidsskrift","1926","9","","37","39","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1011329","3","","3","","5.2","","90","","90","","90","","46.8","","","","","","","","","","","","","2","P 4/m","-P 4","83","","Palladium oxide","","- O Pd -","- O Pd -","- O Pd -","1","0.125","","Levi, G R; Fontana, C","Ossidi di palladio","Gazzetta Chimica Italiana","1926","56","","388","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1522704","6.284","","6.284","","4.01","","90","","90","","90","","158.35","","","","","","","","","","","","","2","P 4/m","-P 4","83","","","","- Ga3 Ti2 -","- Ga3 Ti2 -","- Ga6 Ti4 -","2","0.25","","Poetzschke, M.; Schubert, K.","Zum Aufbau einiger T(4)-B(3) homologer und quasihomologer Systeme. I. Die Systeme Ti-Ga, Zr-Ga und Hf-Ga","Zeitschrift fuer Metallkunde","1953","53","","474","488","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525684","10.7319","","10.7319","","3.8674","","90","","90","","90","","445.423","","","","","","","","","","","","","5","P 4/m","-P 4","83","","(La6.4 Ca1.6) Cu6 Ni2 O20","","- Ca1.6 Cu6 La6.4 Ni2 O20 -","- Ca1.6 Cu6 La6.4 Ni2 O20 -","- Ca1.6 Cu6 La6.4 Ni2 O20 -","1","0.125","","Binsted, N.; Fjellvåg, H.; Owens, C.; Stange, M.; Weller, M. T.","Application of combined EXAFS and powder diffraction analysis in solid state chemistry","Journal of Synchrotron Radiation","2001","8","2","305","307","10.1107/S0909049500020276","","","","","","","","","","","","","","","","","","","","","has coordinates","174862","2020-10-21","18:00:00",""
"1526620","8.699","","8.699","","3.876","","90","","90","","90","","293.307","","","","","","","","","","","","","5","P 4/m","-P 4","83","","La4 Ba Cu4 Ni O13.3","","- Ba Cu4 La4 Ni O13.3 -","- Ba Cu4 La4 Ni O13.3 -","- Ba Cu4 La4 Ni O13.3 -","1","0.125","","Shivakumara, C.; Hegde, M.S.; Rajagopal, H.; Sequiera, A.","Neutron diffraction studies of La4 Ba Cu4 M O13+d (M = Ni and Co) oxides","Materials Research Bulletin","2000","35","","2063","2068","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526621","8.695","","8.695","","3.876","","90","","90","","90","","293.037","","","","","","","","","","","","","5","P 4/m","-P 4","83","","La4 Ba Cu4 Co O13.49","","- Ba Co Cu4 La4 O13.49 -","- Ba Co1.002 Cu3.998 La4 O13.49 -","- Ba Co1.002 Cu3.998 La4 O13.49 -","1","0.125","","Shivakumara, C.; Rajagopal, H.; Hegde, M.S.; Sequiera, A.","Neutron diffraction studies of La4 Ba Cu4 M O13+d (M = Ni and Co) oxides","Materials Research Bulletin","2000","35","","2063","2068","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528162","11.2","","11.2","","4.594","","90","","90","","90","","576.271","","","","","","","","","","","","","3","P 4/m","-P 4","83","","","","- Ca7 Ni4 Sn13 -","- Ca7 Ni4 Sn13 -","- Ca7 Ni4 Sn13 -","1","0.125","","Vennos, D.A.; DiSalvo, F.J.; Badding, M.E.","Synthesis, structure, and properies of a new intermetallic compound, Ca7 Ni4 Sn13","Journal of the Less-Common Metals","1991","175","","339","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1529103","9.4128","","9.4128","","3.3361","","90","","90","","90","","295.581","","","","","","","","","","","","","2","P 4/m","-P 4","83","","V3 As2","","- As2 V3 -","- As2 V3 -","- As8 V12 -","4","0.5","","Berger, R.","The crystal structure of V3 As2","Acta Chemica Scandinavica, Series A: (28,1974-)","1977","31","","287","291","","","","","","","","","","","","","","","","","","","","","","has coordinates","152166","2020-10-21","18:00:00",""
"1531072","8.61659","","8.61659","","3.87694","","90","","90","","90","","287.846","","","","","","","","","","","","","5","P 4/m","-P 4","83","","La4 Ba Cu4 Ni O12.95","","- Ba Cu4 La4 Ni O12.95 -","- Ba Cu4 La4 Ni O12.93 -","- Ba Cu4 La4 Ni O12.93 -","1","0.125","","Anderson, P.S.; Kirk, C.A.; Skakle, J.M.S.; West, A.R.","Synthesis and characterization of La4 Ba Cu5 O13+d and La4 Ba Cu5-x Mx O13+d : M = Fe, Co, Ni, Zn","Journal of Solid State Chemistry","2003","170","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531073","8.63853","","8.63853","","3.90398","","90","","90","","90","","291.331","","","","","","","","","","","","","5","P 4/m","-P 4","83","","La4 Ba Cu4 Fe O12.96","","- Ba Cu4 Fe La4 O12.96 -","- Ba Cu4 Fe La4 O12.96 -","- Ba Cu4 Fe La4 O12.96 -","1","0.125","","Anderson, P.S.; Kirk, C.A.; Skakle, J.M.S.; West, A.R.","Synthesis and characterization of La4 Ba Cu5 O13+d and La4 Ba Cu5-x Mx O13+d : M = Fe, Co, Ni, Zn","Journal of Solid State Chemistry","2003","170","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531074","8.60946","","8.60946","","3.88304","","90","","90","","90","","287.822","","","","","","","","","","","","","5","P 4/m","-P 4","83","","La4 Ba Cu4 Co O12.9","","- Ba Co Cu4 La4 O12.9 -","- Ba Co Cu4 La4 O12.9 -","- Ba Co Cu4 La4 O12.9 -","1","0.125","","Anderson, P.S.; Kirk, C.A.; Skakle, J.M.S.; West, A.R.","Synthesis and characterization of La4 Ba Cu5 O13+d and La4 Ba Cu5-x Mx O13+d : M = Fe, Co, Ni, Zn","Journal of Solid State Chemistry","2003","170","","1","8","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536542","8.328","","8.328","","3.1345","","90","","90","","90","","217.395","","","","","","","","","","","","","3","P 4/m","-P 4","83","","U2 W4 C4","","- C4 U2 W4 -","- C4 U2 W4 -","- C8 U4 W8 -","2","0.25","","Khalili, M.M.; Bodak, O.I.; Marusin, E.P.; Pecharskaya, A.O.","Crystal structures of Er4 Ni13 C4 and U W4 C4","Kristallografiya","1990","35","","337","341","","","","","","","","","","","","","","","","","","","","","","has coordinates","164288","2020-10-21","18:00:00",""
"1537160","6.608","","6.608","","4.107","","90","","90","","90","","179.335","","","","","","","","","","","","","3","P 4/m","-P 4","83","","","","- Ba0.8 Nb5 O8 -","- Ba0.8 Nb5 O8 -","- Ba0.8 Nb5 O8 -","1","0.125","","Zubkov, V.G.; Perelyaev, V.A.; Makarova, O.V.; Berger, I.F.; Kontsevaya, I.A.; Gubanov, V.A.; Turzhevskii, S.A.","One-dimensional clusters of niobium monooxide in Ba Nb5 O8","Sverkhprovodimest: Fizika, Khimiya, Tekhnika","1990","3","","2121","2126","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1551985","3.81897","","3.81897","","3.97258","","90","","90","","90","","57.938","","","","","","","","","","","","","3","P 4/m","-P 4","83","","","","- Cu La O3 -","- Cu La O3 -","- Cu La O3 -","1","0.125","","Bringley, J. F.; Scott, B. A.; La Placa, S. J.; McGuire, T. R.; Mehran, F.; McElfresh, M. W.; Cox, D. E.","Structure and properties of the LaCuO3−δ perovskites","Physical Review B","1993","47","22","15269","","10.1103/PhysRevB.47.15269","","","","","","","","","","","","","","","","","","","","","has coordinates","216771","2020-10-21","18:00:00",""
"1569004","13.8592","0.0005","13.8592","0.0005","13.1579","0.0007","90","","90","","90","","2527.34","0.19","193","","193","","","","","","","","","7","P 4/m","-P 4","83","","","","- C12 H20 Cu2 I3 N4 O6 P3 -","- C12 H20 Cu2 I3 N4 O6 P3 -","- C48 H80 Cu8 I12 N16 O24 P12 -","4","0.5","","Zhou, Shuigen; Chen, Yihao; Li, Kailei; Liu, Xiaowei; Zhang, Ting; Shen, Wei; Li, Ming; Zhou, Lei; He, Rongxing","Photophysical studies for Cu(i)-based halides: broad excitation bands and highly efficient single-component warm white-light-emitting diodes.","Chemical science","2023","14","20","5415","5424","10.1039/d3sc01762a","","x-ray","0.71073","MoKα","","0.138","0.1364","","","0.3418","0.3424","","","","","","1.122","","","","has coordinates,has disorder","284227","2023-06-05","04:03:48",""
"2101163","7.2358","0.0006","7.2358","0.0006","8.3104","0.0008","90","","90","","90","","435.11","0.07","","","","","","","","","","","","5","P 4/m","-P 4","","","","","- C16 H6 D12 N6 Ni2 -","- C16 H24 D12 N6 Ni2 -","- C16 H24 D12 N6 Ni2 -","1","0.125","AL0564","Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F.","Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~","Acta Crystallographica Section B","1994","50","4","431","435","10.1107/S0108768193013539","","neutron","1.884","Neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101164","7.2196","0.0003","7.2196","0.0003","8.1007","0.0005","90","","90","","90","","422.23","0.04","","","","","","","","","","","","5","P 4/m","-P 4","","","","","- C16 H6 D12 N6 Ni2 -","- C16 H24 D12 N6 Ni2 -","- C16 H24 D12 N6 Ni2 -","1","0.125","AL0564","Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F.","Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~","Acta Crystallographica Section B","1994","50","4","431","435","10.1107/S0108768193013539","","neutron","1.884","Neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101165","7.3294","0.0003","7.3294","0.0003","8.0722","0.0004","90","","90","","90","","433.64","0.03","","","","","","","","","","","","5","P 4/m","-P 4","","","","","- C16 H18 N6 Ni Zn -","- C16 H36 N6 Ni Zn -","- C16 H36 N6 Ni Zn -","1","0.125","AL0564","Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F.","Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~","Acta Crystallographica Section B","1994","50","4","431","435","10.1107/S0108768193013539","","neutron","1.884","Neutron","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2101235","6.4835","0.0002","6.4835","0.0002","6.8217","0.0005","90","","90","","90","","286.76","","100","","100","","","","","","","","","2","P 4/m","-P 4","","","","","- Nb Te4 -","- Nb0.25 Te0.5 -","- Nb2 Te4 -","8","1","SE0142","Kusz, J.; Böhm, H.","The low-temperature structure of NbTe~4~","Acta Crystallographica Section B","1994","50","6","649","655","10.1107/S0108768194005161","","","0.7107","Mo","","","","","","","","","","","","","","","","","has coordinates","302835","2025-10-07","14:57:24",""
"2105394","12.6","","12.6","","4","","90","","90","","90","","635.04","","","","","","","","","","","","","2","P 4/m","-P 4","83","","","","- Au31 Mn9 -","- Au31 Mn9 -","- Au31 Mn9 -","1","0.125","","Watanabe, D.; Hiraga, K.; Terasaki, O.; Shindo, D.; Hirabayashi, M.","A study of the ordered structures of the Au-Mn system by high-voltage high-resolution microscopy","Acta Crystallographica B (24,1968-38,1982)","1980","36","","2550","2554","10.1107/S0567740880009417","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4001115","8.61468","0.00016","8.61468","","3.81019","0.00016","90","","90","","90","","282.765","0.013","293","2","","","","","","","","","","3","P 4/m","-P 4","83","","","","- Mn5 O13 Sr5 -","- Mn5 O13 Sr5 -","- Mn5 O13 Sr5 -","1","0.125","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001117","8.60611","0.00011","8.60611","","3.83812","0.00007","90","","90","","90","","284.271","0.006","293","2","","","","","","","","","","4","P 4/m","-P 4","83","","","","- La0.5 Mn5 O13.7 Sr4.5 -","- La0.5 Mn5 O13.698 Sr4.5 -","- La0.5 Mn5 O13.698 Sr4.5 -","1","0.125","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001119","8.681","0.0018","8.681","","3.8585","0.0008","90","","90","","90","","290.78","0.09","773","5","","","","","","","","","","4","P 4/m","-P 4","83","","","","- La0.5 Mn5 O13 Sr4.5 -","- La0.5 Mn5 O13 Sr4.5 -","- La0.5 Mn5 O13 Sr4.5 -","1","0.125","","Suescun, Leopoldo; Dabrowski, Bogdan; Mais, James; Remsen, Steven; Richardson, James W.; Maxey, Evan R.; Jorgensen, James D.","Oxygen Ordered Phases in LaxSr1−xMnOy(0 ≤x≤ 0.2, 2.5 ≤ y ≤ 3): An In situ Neutron Powder Diffraction Study","Chemistry of Materials","2008","20","4","1636","","10.1021/cm703139c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001439","10.3522","0.0005","10.3522","0.0005","4.1784","0.0005","90","","90","","90","","447.79","0.06","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Co4 Dy7 Ge12 In -","- Co4 Dy7 Ge12 In -","- Co4 Dy7 Ge12 In -","1","0.125","","Chondroudi, Maria; Balasubramanian, Mahalingam; Welp, Ulrich; Kwok, Wai-K.; Kanatzidis, Mercouri G.","Mixed Valency in Yb7Co4InGe12: A Novel Intermetallic Compound Stabilized in Liquid Indium","Chemistry of Materials","2007","19","19","4769","","10.1021/cm071687q","","","0.71073","MoKα","","0.0336","0.0258","","","0.0552","0.058","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001440","10.357","0.003","10.357","0.003","4.1538","0.0015","90","","90","","90","","445.6","0.2","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Co4 Ge12 Ho7 In -","- Co4 Ge12 Ho7 In -","- Co4 Ge12 Ho7 In -","1","0.125","","Chondroudi, Maria; Balasubramanian, Mahalingam; Welp, Ulrich; Kwok, Wai-K.; Kanatzidis, Mercouri G.","Mixed Valency in Yb7Co4InGe12: A Novel Intermetallic Compound Stabilized in Liquid Indium","Chemistry of Materials","2007","19","19","4769","","10.1021/cm071687q","","","0.71073","MoKα","","0.0496","0.0464","","","0.1141","0.1152","","","","","","1.299","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001441","10.2937","0.0007","10.2937","0.0007","4.1518","0.0005","90","","90","","90","","439.93","0.07","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Co4 Ge12 In Yb7 -","- Co4 Ge12 In Yb7 -","- Co4 Ge12 In Yb7 -","1","0.125","","Chondroudi, Maria; Balasubramanian, Mahalingam; Welp, Ulrich; Kwok, Wai-K.; Kanatzidis, Mercouri G.","Mixed Valency in Yb7Co4InGe12: A Novel Intermetallic Compound Stabilized in Liquid Indium","Chemistry of Materials","2007","19","19","4769","","10.1021/cm071687q","","","0.71073","MoKα","","0.0332","0.0304","","","0.071","0.0723","","","","","","1.126","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4128511","29.62","0.004","29.62","0.004","29.14","0.004","90","","90","","90","","25566","6","100","2","100","2","","","","","","","","4","P 4/m","-P 4","83","","","","- C304 N12 O108 Rh24 -","- C304 N12 O108 Rh24 -","- C608 N24 O216 Rh48 -","2","0.25","","Carné-Sánchez, Arnau; Albalad, Jorge; Grancha, Thais; Imaz, Inhar; Juanhuix, Judith; Larpent, Patrick; Furukawa, Shuhei; Maspoch, Daniel","Postsynthetic Covalent and Coordination Functionalization of Rhodium(II)-Based Metal-Organic Polyhedra.","Journal of the American Chemical Society","2019","141","9","4094","4102","10.1021/jacs.8b13593","","","0.70192","synchrotron","","0.153","0.1207","","","0.3559","0.3779","","","","","","1.406","","","","has coordinates","221593","2020-10-21","18:00:00",""
"4303849","24.0953","0.0002","24.0953","0.0002","21.9359","0.0005","90","","90","","90","","12735.6","0.3","173","2","173","2","","","","","","","","8","P 4/m","-P 4","83","","","","- Br Cu20 H168 K12 Li13 O280 P8 W48 -","- Br Cu20 K19 O250 P8 W48 -","- Br2 Cu40 K38 O500 P16 W96 -","2","0.25","","Sib Sankar Mal; Bassem S. Bassil; Masooma Ibrahim; Saritha Nellutla; Johan van Tol; Naresh S. Dalal; Jorge A. Fernández; Xavier López; Josep M. Poblet; Rosa Ngo Biboum; Bineta Keita; Ulrich Kortz","Wheel-Shaped Cu20-Tungstophosphate [Cu20X(OH)24(H2O)12(P8W48O184)]25- Ion (X = Cl, Br, I) and the Role of the Halide Guest","Inorganic Chemistry","2009","48","","11636","11645","10.1021/ic901641f","","","0.71073","MoKα","","0.0566","0.0457","","","0.1327","0.1427","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4309735","12.221","0.003","12.221","0.003","10.806","0.004","90","","90","","90","","1613.9","0.8","203","2","203","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C56 H40 I7 N8 U -","- C64 I7 N8 U2 -","- C64 I7 N8 U2 -","1","0.125","","Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu","Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex","Inorganic Chemistry","2005","44","","7403","7413","10.1021/ic050578f","","","0.71073","MoKα","","0.1195","0.0811","","","0.1642","0.1714","","","","","","1.487","","","","has coordinates","179135","2020-10-21","18:00:00",""
"4315583","24.0881","0.0003","24.0881","0.0003","21.7879","0.0007","90","","90","","90","","12642.1","0.5","173","2","173","2","","","","","","","","7","P 4/m","-P 4","83","","","","- H96 K20 Li16 O240 P8 V4 W48 -","- K27 O225 P8 V4 W48 -","- K54 O450 P16 V8 W96 -","2","0.25","","Bassem S. Bassil; Masooma Ibrahim; Sib Sankar Mal; Andreas Suchopar; Rosa Ngo Biboum; Bineta Keita; Louis Nadjo; Saritha Nellutla; Johan van Tol; Naresh S. Dalal; Ulrich Kortz","Cobalt, Manganese, Nickel, and Vanadium Derivatives of the Cyclic 48-Tungsto-8-Phosphate [H7P8W48O184]33-","Inorganic Chemistry","2010","49","","4949","4959","10.1021/ic100050r","","","0.71073","MoKα","","0.06","0.0413","","","0.1118","0.1232","","","","","","1.042","","","","has coordinates","179235","2020-10-21","18:00:00",""
"4320033","7.4144","0.0005","7.4144","","7.2141","0.0006","90","","90","","90","","396.58","0.04","","","","","","","","","","","","5","P 4/m","-P 4","83","","","","- C8 Fe N6 O2 Pt -","- C8 Fe N6 O2 Pt -","- C8 Fe N6 O2 Pt -","1","0.125","","Virginie Niel; José María Martinez-Agudo; M. Carmen Muñoz; Ana Belén Gaspar; José Antonio Real","Cooperative Spin Crossover Behavior in Cyanide-Bridged Fe(II)-M(II) Bimetallic 3D Hofmann-like Networks (M = Ni, Pd, and Pt)","Inorganic Chemistry","2001","40","","3838","3839","10.1021/ic010259y","powder diffraction","","1.5406","Kα~1~","","","","","","","","","","5.25","","","","","","","has coordinates","179303","2020-10-21","18:00:00",""
"4330733","8.673","0.0011","8.673","0.0011","7.201","0.0007","90","","90","","90","","541.67","0.11","230","1","230","1","","","","","","","","6","P 4/m","-P 4","83","","","","- C8 H4 Fe N6 Pd S4 -","- C8 Fe N6 Pd S4 -","- C8 Fe N6 Pd S4 -","1","0.125","","Francisco J. Muñoz-Lara; Zulema Arcís-Castillo; M. Carmen Muñoz; J. Alberto Rodríguez-Velamazán; Ana B. Gaspar; José A. Real","Heterobimetallic MOFs Containing Tetrathiocyanometallate Building Blocks: Pressure-Induced Spin Crossover in the Porous {FeII(pz)[PdII(SCN)4]} 3D Coordination Polymer","Inorganic Chemistry","2012","51","","11126","11132","10.1021/ic3016673","","","0.71073","MoKα","","0.0823","0.0479","","","0.1143","0.1333","","","","","","1.011","","","","has coordinates","179410","2020-10-21","18:00:00",""
"4332415","17.3885","0.0003","17.3885","0.0003","19.6855","0.0003","90","","90","","90","","5952.11","0.17","","","293","","","","","","","","","7","P 4/m","-P 4","83","","","","- C36 H178 Al8 F12 N12 O71 P12 -","- C39 Al8 F12 N12 O73.844 P12 -","- C78 Al16 F24 N24 O147.688 P24 -","2","0.25","","Kratochvil, Jan; Necas, Marek; Petricek, Vaclav; Pinkas, Jiri","Cubic Octanuclear Aluminum Fluoride Phosphonate†","Inorganic Chemistry","2006","45","17","6562","6564","10.1021/ic060344b","","","0.71069","MoKα","","0.178","0.081","","","0.0871","0.0888","","","","4.34","4.34","2.7","","","","has coordinates","179427","2020-10-21","18:00:00",""
"4338311","12.304","0.001","12.304","0.001","8.488","0.001","90","","90","","90","","1285","0.2","200","2","200","2","","","","","","","","7","P 4/m","-P 4","83","","Tetrammine(fluorido)nitrosyltechnetium(I) hexafluorophosphate x 1/2 KPF6","","- F20 H24 K N10 O2 P3 Tc2 -","- F20 H24 K N10 O2 P3 Tc2 -","- F40 H48 K2 N20 O4 P6 Tc4 -","2","0.25","","Balasekaran, Samundeeswari Mariappan; Spandl, Johann; Hagenbach, Adelheid; Köhler, Klaus; Drees, Markus; Abram, Ulrich","Fluoridonitrosyl Complexes of Technetium(I) and Technetium(II). Synthesis, Characterization, Reactions, and DFT Calculations.","Inorganic chemistry","2014","53","10","5117","5128","10.1021/ic500229r","","","0.71073","MoKα","","0.0449","0.04","","","0.1043","0.1067","","","","","","1.079","","","","has coordinates","179486","2020-10-21","18:00:00",""
"4514571","14.471","0.008","14.471","0.007","6.448","0.006","90","","90","","90","","1350.3","1.6","293","2","293","2","","","","","","","","2","P 4/m","-P 4","83","","","","- I3.62 Pb1.12 -","- I3.62 Pb1.12 -","- I14.48 Pb4.48 -","4","0.5","","Leblanc, Antonin; Mercier, Nicolas; Allain, Magali; Dittmer, Jens; Pauporté, Thierry; Fernandez, Vincent; Boucher, Florent; Kepenekian, Mikael; Katan, Claudine","Enhanced Stability and Band Gap Tuning of α-[HC(NH<sub>2</sub>)<sub>2</sub>]PbI<sub>3</sub> Hybrid Perovskite by Large Cation Integration.","ACS applied materials & interfaces","2019","11","23","20743","20751","10.1021/acsami.9b00210","","","0.71073","MoKα","","0.1055","0.0477","","","0.1301","0.1641","","","","","","1.014","","","","has coordinates","219756","2020-10-21","18:00:00",""
"4515377","29.119","0.002","29.119","0.002","40.949","0.004","90","","90","","90","","34721","5","200","2","200","2","","","","","","","","4","P 4/m","-P 4","83","","","","- C192 H72 Cu24 O142 -","- C192 H72 Cu24 O142 -","- C384 H144 Cu48 O284 -","2","0.25","","Barreda, Omar; Bannwart, Gianluca; Yap, Glenn P. A.; Bloch, Eric D.","Ligand-Based Phase Control in Porous Molecular Assemblies.","ACS applied materials & interfaces","2018","10","14","11420","11424","10.1021/acsami.8b02015","","","1.54178","CuKα","","0.1303","0.0925","","","0.2691","0.3157","","","","","","1.061","","","","has coordinates","225530","2020-10-21","18:00:00",""
"4516197","14.62","0.009","14.62","0.009","6.392","0.004","90","","90","","90","","1366.3","1.5","296","2","296","2","","","","","","","","6","P 4/m","-P 4","83","","","","- C5.4 H22.2 I7 N3.6 O2.4 Sn2 -","- I7 Sn2 -","- I14 Sn4 -","2","0.25","","Tsai, Cheng-Min; Lin, Yu-Pei; Pola, Murali Krishna; Narra, Sudhakar; Jokar, Efat; Yang, Yaw-Wen; Diau, Eric Wei-Guang","Control of Crystal Structures and Optical Properties with Hybrid Formamidinium and 2-Hydroxyethylammonium Cations for Mesoscopic Carbon-Electrode Tin-Based Perovskite Solar Cells","ACS Energy Letters","2018","3","9","2077","","10.1021/acsenergylett.8b01046","","","0.71073","MoKα","","0.1847","0.0588","","","0.1588","0.2114","","","","","","0.802","","","","has coordinates","226183","2020-10-21","18:00:00",""
"7026398","19.8227","0.0006","19.8227","0.0006","9.9593","0.0005","90","","90","","90","","3913.4","0.3","293","2","293","2","","","","","","","","6","P 4/m","-P 4","83","","","","- C52 H64 Ca Cd2 N2 O16 -","- C52 H64 Ca Cd2 N2 O16 -","- C104 H128 Ca2 Cd4 N4 O32 -","2","0.25","","Lin, Jian-Di; Wu, Shu-Ting; Li, Zhi-Hua; Du, Shao-Wu","Syntheses, topological analyses, and NLO-active properties of new Cd(II)/M(II) (M = Ca, Sr) metal-organic frameworks based on R-isophthalic acids (R = H, OH, and t-Bu).","Dalton transactions (Cambridge, England : 2003)","2010","39","44","10719","10728","10.1039/c0dt00390e","","","0.71073","MoKα","","0.0674","0.0628","","","0.179","0.1851","","","","","","1.012","","","","has coordinates,has disorder","179969","2020-10-21","18:00:00",""
"7034182","10.312","0.0002","10.312","0.0002","4.1586","0.0001","90","","90","","90","","442.214","0.016","293","2","293","2","","","","","","","","4","P 4/m","-P 4","83","","","","- Ge3 In0.25 Ni Yb1.75 -","- Ge3 In0.25 Ni Yb1.75 -","- Ge12 In Ni4 Yb7 -","4","0.5","","Subbarao, Udumula; Jana, Rajkumar; Chondroudi, Maria; Balasubramanian, Mahalingam; Kanatzidis, Mercouri G.; Peter, Sebastian C.","Yb7Ni4InGe12: a quaternary compound having mixed valent Yb atoms grown from indium flux.","Dalton transactions (Cambridge, England : 2003)","2015","44","12","5797","5804","10.1039/c4dt03783a","","","0.71073","MoKα","","0.0429","0.0418","","","0.1088","0.1127","","","","","","1.167","","","","has coordinates","180047","2020-10-21","18:00:00",""
"7036772","24.0852","0.0003","24.0852","0.0003","21.6371","0.0005","90","","90","","90","","12551.6","0.4","120","0.1","120","0.1","","","","","","","","7","P 4/m","-P 4","83","","","","- H105 K46.75 Li26.25 O424 P16 Sn7 W96 -","- K46.776 O424.04 P16 Sn7.024 W96 -","- K46.776 O424.04 P16 Sn7.024 W96 -","1","0.125","","Izarova, N. V.; Klaß, L; de Oliveira, P.; Mbomekalle, I.-M.; Peters, V.; Haarmann, F.; Kögerler, P","Tin(ii)-functionalization of the archetypal {P8W48} polyoxotungstate.","Dalton transactions (Cambridge, England : 2003)","2015","44","44","19200","19206","10.1039/c5dt03164h","","","0.71073","MoKα","","0.1979","0.0813","","","0.1576","0.2217","","","","","","1.053","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7038976","11.3213","0.0011","11.3213","0.0011","34.953","0.004","90","","90","","90","","4480","0.8","100","1","100","","","","","","","","","5","P 4/m","-P 4","83","","","","- C80 H52 N16 O4 Pd2 -","- C80 H52 N16 O4 Pd2 -","- C160 H104 N32 O8 Pd4 -","2","0.25","","Preston, Dan; McNeill, Samantha M.; Lewis, James E. M.; Giles, Gregory I.; Crowley, James D.","Enhanced kinetic stability of [Pd2L4](4+) cages through ligand substitution.","Dalton transactions (Cambridge, England : 2003)","2016","45","19","8050","8060","10.1039/c6dt00133e","","","1.54184","CuKα","","0.2259","0.1445","","","0.4099","0.4487","","","","","","1.191","","","","has coordinates,has disorder","185548","2020-10-21","18:00:00",""
"7135025","21.7419","0.0003","21.7419","0.0003","7.7397","0.0002","90","","90","","90","","3658.64","0.12","100","0.1","100.15","","","","","","","","","5","P 4/m","-P 4","83","","","","- C60 H50 Cl1.5 Dy8.5 O86 -","- C60 H50 Cl1.5 Dy8.5 O86 -","- C60 H50 Cl1.5 Dy8.5 O86 -","1","0.125","","Shao, Xueying; Yang, Yue; Dong, Xiaofang; Wang, Shen; Liang, Yulu; Liu, Zhongyi; Min, Hui; Wang, Yu-Xia; Cheng, Peng","Magnetic modulation and magnetocaloric effect of lanthanide porous organic frameworks with croconic acid.","Chemical communications (Cambridge, England)","2025","61","86","16862","16865","10.1039/d5cc04708k","","","1.54184","CuKα","","0.0424","0.0365","","","0.0913","0.0944","","","","","","1.039","","","","has coordinates,has disorder","303513","2025-11-29","17:34:15",""
"7135026","21.8854","0.0002","21.8854","0.0002","7.7744","0.0001","90","","90","","90","","3723.71","0.07","100.02","0.1","100.02","0.1","","","","","","","","5","P 4/m","-P 4","83","","","","- C60 H52 Cl1.5 Gd8.5 O86 -","- C60 H52 Cl1.5 Gd8.5 O86 -","- C60 H52 Cl1.5 Gd8.5 O86 -","1","0.125","","Shao, Xueying; Yang, Yue; Dong, Xiaofang; Wang, Shen; Liang, Yulu; Liu, Zhongyi; Min, Hui; Wang, Yu-Xia; Cheng, Peng","Magnetic modulation and magnetocaloric effect of lanthanide porous organic frameworks with croconic acid.","Chemical communications (Cambridge, England)","2025","61","86","16862","16865","10.1039/d5cc04708k","","x-ray","1.54184","CuKα","","0.0727","0.0671","","","0.1861","0.1909","","","","","","1.092","","","","has coordinates,has disorder","303513","2025-11-29","17:34:15",""
"7205960","17.433","0.005","17.433","0.005","16.137","0.007","90","","90","","90","","4904","3","293","2","293","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C134 H185 Cd4 N19 O51 -","- C101 H68 Cd4 N8 O20 -","- C101 H68 Cd4 N8 O20 -","1","0.125","","Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong","Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters","CrystEngComm","2011","13","10","3321","","10.1039/c1ce05099k","","","0.71073","MoKα","","0.0636","0.0606","","","0.168","0.171","","","","","","1.071","","","","has coordinates","180390","2020-10-21","18:00:00",""
"7240132","15.3693","0.0012","15.3693","0.0012","10.1723","0.0008","90","","90","","90","","2402.9","0.3","173","2","173","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C32 H40 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","- C32.008 H30.008 B12 Cu N4 -","1","0.125","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","0.71073","MoKα","","0.0529","0.0492","","","0.1479","0.1535","","","","","","1.102","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7240135","13.6129","0.0006","13.6129","0.0006","10.061","0.0006","90","","90","","90","","1864.41","0.16","253","2","253","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C6 H7 B3 Cu0.25 N -","- C6 H7 B3 Cu0.25 N -","- C24 H28 B12 Cu N4 -","4","0.5","","Zhang, Yuanbin; Wang, Lingyao; Hu, Jianbo; Duttwyler, Simon; Cui, Xili; Xing, Huabin","Solvent dependant supramolecular self-assembly of boron cage pillared metal-organic frameworks for selective gas separation","CrystEngComm","2020","","","","","10.1039/D0CE00142B","","","1.34139","GaKα","","0.0477","0.0467","","","0.1596","0.1607","","","","","","1.013","","","","has coordinates,has disorder","249423","2020-10-21","18:00:00",""
"7244649","18.5387","0.0001","18.5387","0.0001","16.4112","0.0001","90","","90","","90","","5640.26","0.06","100","2","100","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C60 H34 Cd3 N6 O9 -","- C60 H34 Cd3 N6 O9 -","- C120 H68 Cd6 N12 O18 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0863","0.0849","","","0.2285","0.2315","","","","","","1.111","","","","has coordinates","273818","2022-03-18","23:36:43",""
"7244650","18.5387","0.0001","18.5387","0.0001","16.4112","0.0001","90","","90","","90","","5640.26","0.06","100","2","100","2","","","","","","","","6","P 4/m","-P 4","83","","","","- C60 H34 Cd2 N6 O9 Zn -","- C60 H34 Cd2 N6 O9 Zn -","- C120 H68 Cd4 N12 O18 Zn2 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0612","0.0608","","","0.1793","0.1799","","","","","","1.174","","","","has coordinates","273818","2022-03-18","23:36:46",""
"7244651","18.20082","0.00011","18.20082","0.00011","16.58899","0.00013","90","","90","","90","","5495.43","0.06","100","2","100","2","","","","","","","","5","P 4/m","-P 4","83","","","","- C58 H32 Cd3 N8 O9 -","- C58 H32 Cd3 N8 O9 -","- C116 H64 Cd6 N16 O18 -","2","0.25","","Tay, Hui Min; Goddard, Emily; Hua, Carol","Three-dimensional Cd(II) Porphyrin Metal-Organic Frameworks for the Colorimetric Sensing of Electron Donors","CrystEngComm","2022","","","","","10.1039/D2CE00103A","","","1.54178","CuKα","","0.0842","0.0813","","","0.214","0.2185","","","","","","1.133","","","","has coordinates","273818","2022-03-18","23:36:46",""
"7706197","7.4386","0.0002","7.4386","0.0002","13.733","0.002","90","","90","","90","","759.88","0.11","293","2","293","2","","","","","","","","7","P 4/m","-P 4","83","","","","- C16 H18 Br2 Fe N6 O4 Pt -","- C16 H18 Br2 Fe N6 O4 Pt -","- C16 H18 Br2 Fe N6 O4 Pt -","1","0.125","","Li, Yue; Kong, Qing-Rong; Guo, Ying; Tang, Zheng","Thermal hysteresis induced by external pressure in a 3D Hofmann-type SCO-MOF.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1384","1389","10.1039/d0dt03796f","","x-ray","0.71073","MoKα","","0.0883","0.0757","","","0.1881","0.1936","","","","","","1.201","","","","has coordinates,has disorder","261653","2021-02-04","23:11:24",""
"7706198","7.2533","0.0005","7.2533","0.0005","13.346","0.002","90","","90","","90","","702.14","0.13","99.9","0.5","99.9","0.5","","","","","","","","7","P 4/m","-P 4","83","","","","- C16 H18 Br2 Fe N6 O4 Pd -","- C16 H18 Br2 Fe N6 O4 Pd -","- C16 H18 Br2 Fe N6 O4 Pd -","1","0.125","","Li, Yue; Kong, Qing-Rong; Guo, Ying; Tang, Zheng","Thermal hysteresis induced by external pressure in a 3D Hofmann-type SCO-MOF.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1384","1389","10.1039/d0dt03796f","","x-ray","0.71073","MoKα","","0.1061","0.0815","","","0.2282","0.2448","","","","","","1.121","","","","has coordinates,has disorder","261653","2021-02-04","23:11:29",""
"7706199","7.4285","0.0007","7.4285","0.0007","13.648","0.003","90","","90","","90","","753.13","0.19","249.99","0.11","249.99","0.11","","","","","","","","7","P 4/m","-P 4","83","","","","- C16 H18 Br2 Fe N6 O4 Pd -","- C16 H18 Br2 Fe N6 O4 Pd -","- C16 H18 Br2 Fe N6 O4 Pd -","1","0.125","","Li, Yue; Kong, Qing-Rong; Guo, Ying; Tang, Zheng","Thermal hysteresis induced by external pressure in a 3D Hofmann-type SCO-MOF.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1384","1389","10.1039/d0dt03796f","","x-ray","0.71073","MoKα","","0.0825","0.068","","","0.2145","0.223","","","","","","1.125","","","","has coordinates,has disorder","261653","2021-02-04","23:11:29",""
"7706200","7.3121","0.0005","7.3121","0.0005","13.3878","0.0018","90","","90","","90","","715.8","0.12","95","1","95","1","","","","","","","","7","P 4/m","-P 4","83","","","","- C16 H18 Br2 Fe N6 O4 Pt -","- C16 H18 Br2 Fe N6 O4 Pt -","- C16 H18 Br2 Fe N6 O4 Pt -","1","0.125","","Li, Yue; Kong, Qing-Rong; Guo, Ying; Tang, Zheng","Thermal hysteresis induced by external pressure in a 3D Hofmann-type SCO-MOF.","Dalton transactions (Cambridge, England : 2003)","2021","50","4","1384","1389","10.1039/d0dt03796f","","x-ray","0.71073","MoKα","","0.0595","0.0561","","","0.1531","0.1554","","","","","","1.077","","","","has coordinates,has disorder","261653","2021-02-04","23:11:29",""
"9015402","10.126","","10.126","","41.41","","90","","90","","90","","4246.01","","","","","","","","","","","","Shiti barite deposit, Ankang County, Shaanxi, China","4","P 4/m","-P 4","83","","","Ankangite","- Ba9 O112 Ti36.4 V19.6 -","- Ba9 O112 Ti36.4 V19.6 -","- Ba18 O224 Ti72.8 V39.2 -","2","0.25","","Shi, N.; Ma, Z.; Liu, W.","Crystal structure determination of ankangite with one dimensional incommensurate modulation","Acta Petrologica et Mineralogica","1991","10","","233","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""