# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T12:01:01+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P n m m :2' 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
"1001201","6.407","","3.797","","14.918","","90","","90","","90","","362.9","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","Trititanium rubidium niobium oxide","","- Nb O9 Rb Ti3 -","- Nb O9 Rb Ti3 -","- Nb2 O18 Rb2 Ti6 -","2","0.25","","Hervieu, M; Desgardin, G; Raveau, B","Titanoniobates et Titanotantalates avec une structure a tunnels: les oxydes A Ti~3~ M O~9~ et (A~2~ Ti~6~ O~13~)~n~ * A Ti~3~ M O~9~","Annales de Chimie (Paris) (Vol=Year)","1979","1979","","339","346","","","","","","","0.077","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008016","2.8831","","2.9638","","4.1342","","90","","90","","90","","35.3","","","","","","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","Chromium vanadium nitride (0.9/0.1/1)","","- Cr0.9375 N V0.0625 -","- Cr0.9375 N V0.0625 -","- Cr1.875 N2 V0.125 -","2","0.25","","Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J","Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3010","3013","10.1107/S0567740877010164","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008017","2.884","","2.962","","4.1314","","90","","90","","90","","35.3","","","","","","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","Chromium vanadium nitride (0.9/0.1/1)","","- Cr0.875 N V0.125 -","- Cr0.875 N V0.125 -","- Cr1.75 N2 V0.25 -","2","0.25","","Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J","Etude cristallographique de Cr~1-x~ V~x~ N a basse temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3010","3013","10.1107/S0567740877010164","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008678","18.84799","0.003","10.918","0.002","3.9153","0.0005","90","","90","","90","","805.7","","","","","","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","Erbium iridium silicide (4/13/9)","","- Er4 Ir13 Si9 -","- Er4 Ir13 Si9 -","- Er8 Ir26 Si18 -","2","0.25","","Verniere, A; Lejay, P; Bordet, P; Chenavas, J; Tholence, J L; Boucherle, J X; Keller, N","Crystal structure and physical properties of new ternary silicides R4 T13 X9 (R, rare earth or uranium; T, rhodium or iridium; X, silicon or germanium)","Journal of Alloys Compd.","1995","218","","197","203","10.1016/0925-8388(94)01400-0","","","","","","0.023","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008959","2.8831","0.0005","2.9638","","4.1342","","90","","90","","90","","35.3","","","","","","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","Chromium vanadium nitride (0.94/0.06/1) - LT","","- Cr0.9375 N V0.0625 -","- Cr0.9375 N V0.0625 -","- Cr1.875 N2 V0.125 -","2","0.25","","Nasr Eddine, M; Bertaut, E F; Roubin, M; Paris, J","Etude cristallographique de Cr(1-x) V(x) N a basse temperature","Acta Crystallographica B (24,1968-38,1982)","1977","33","","3010","3013","10.1107/S0567740877010164","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1525597","6.595","","11.423","","6.06","","90","","90","","90","","456.528","","","","","","","","","","","","","2","P n m m :2","-P 2c 2bc","59","","Mo Br3","","- Br3 Mo -","- Br3 Mo -","- Br12 Mo4 -","4","0.5","","Babel, D.","Die Verfeinerung der Mo Br3-Struktur","Journal of Solid State Chemistry","1972","4","","410","416","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527402","6.392","","3.793","","14.877","","90","","90","","90","","360.691","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","K Ti3 Ta O9","","- K O9 Ta Ti3 -","- K O9 Ta Ti3 -","- K2 O18 Ta2 Ti6 -","2","0.25","","Gatehouse, B.M.; Nesbit, M.C.","Preparation and structure refinement of K Ti3 Ta O9 and K3 Ti Ta7 O21","Journal of Solid State Chemistry","1981","39","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530173","8.24","","13.23","","3.73","","90","","90","","90","","406.627","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","Y3 Cl2 O (O H)5","","- Cl2 H5 O6 Y3 -","- Cl2 O6 Y3 -","- Cl4 O12 Y6 -","2","0.25","","Klevtsova, R.F.; Klevtsov, P.V.; Kozeeva, L.P.","The Crystal Hydrooxichloride Y3 Cl2 O (O H)5","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1967","3","","1430","1434","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536593","6.369","","3.8063","","14.815","","90","","90","","90","","359.15","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","K Ti3 (Sb O9)","","- K O9 Sb Ti3 -","- K O9 Sb Ti3 -","- K2 O18 Sb2 Ti6 -","2","0.25","","Piffard, Y.; Marchand, R.; Tournaux, M.","Structure cristalline de K Ti3 (Sb O9)","Revue de Chimie Minerale","1980","17","","18","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536743","13.973","","22.656","","31.252","","90","","90","","90","","9893.52","","","","","","","","","","","","","6","P n m m :2","-P 2c 2bc","59","","Na25 (Ce (H2 O)5 As4 W40 O140) (H2 O)63","","- As4 Ce H136 Na25 O208 W40 -","- As4 Ce Na25 O203 W40 -","- As8 Ce2 Na50 O406 W80 -","2","0.25","","Xue Ganglin; Vaissermann, J.; Gouzerh, P.","Cerium(III) complexes with lacunary polyoxotungstates. Synthesis and structural characterization of a novel heteropolyoxotungstate based on alpha - (Sb W9 O33)(9-) units","Journal of Cluster Science","2002","13","","409","421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2300446","23.201","0.0003","32.31","0.0003","4.103","0.0003","90","","90","","90","","3075.7","0.2","293","2","293","2","","","","","","","","3","P n m m :2","-P 2c 2bc","59","","","","- Al18.5 Co7.75 Ni0 -","- Al17.25 Co7.75 -","- Al138 Co62 -","8","1","HE5621","Singh, Devinder; Yun, Yifeng; Wan, Wei; Grushko, Benjamin; Zou, Xiaodong; Hovmöller, Sven","A complex pseudo-decagonal quasicrystal approximant, Al~37~(Co,Ni)~15.5~, solved by rotation electron diffraction","Journal of Applied Crystallography","2014","47","1","215","221","10.1107/S1600576713029294","","","0.02508","","","0.4326","0.4285","","","0.6988","0.7023","","","","","","4.155","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310692","6.392","","3.785","","14.865","","90","","90","","90","","359.64","","","","","","","","","","","","","4","P n m m :2","-P 2c 2bc","59","","K (Ti3 Nb O9)","","- K Nb O9 Ti3 -","- K Nb O9 Ti3 -","- K2 Nb2 O18 Ti6 -","2","0.25","","Wadsley, A.D.","Alkali titanoniobates: The crystal structures of K Ti Nb O5 and K Ti3 Nb O9","Acta Crystallographica (1,1948-23,1967)","1964","17","","623","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4000455","6.6046","0.0009","11.4419","0.0017","6.0772","0.0007","90","","90","","90","","459.25","0.11","298","2","293","2","","","","","","","","2","P n m m :2","-P 2c 2bc","59","","Molibdenum(iii) bromide","","- Br3 Mo -","- Br3 Mo -","- Br12 Mo4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.0816","0.0405","","","0.0805","0.0909","","","","","","1.176","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000456","6.488","0.0012","11.235","0.003","5.8587","0.0013","90","","90","","90","","427.07","0.16","298","2","293","2","","","","","","","","2","P n m m :2","-P 2c 2bc","59","","Ruthenium(iii) bromide","","- Br3 Ru -","- Br3 Ru -","- Br12 Ru4 -","4","0.5","","","","Chemistry of Materials","2004","","","","","10.1021/cm049235q","","","0.71073","MoKα","","0.1123","0.055","","","0.1158","0.1427","","","","","","1.01","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4069937","7.824","0.0002","17.3596","0.0005","18.6606","0.0004","90","","90","","90","","2534.51","0.11","173","2","173","2","","","","","","","synthesis as described","4","P n m m :2","-P 2c 2bc","59","","","","- C53 H86 Si2 Sm2 -","- C53 H78 Si2 Sm2 -","- C106 H156 Si4 Sm4 -","2","0.25","","Summerscales, Owen T.; Jones, Simon C.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Anti-Bimetallic Complexes of Divalent Lanthanides with Silylated Pentalene and Cyclooctatetraenyl Bridging Ligands as Molecular Models for Lanthanide-Based Polymers","Organometallics","2009","28","20","5896","","10.1021/om900520h","","x-ray","0.71073","MoKα","","0.0471","0.0341","","","0.0853","0.0916","","","","","","1.074","","","","has coordinates,has disorder","178588","2020-10-21","18:00:00",""
"4069940","7.8251","0.0004","17.3663","0.0009","18.6689","0.0007","90","","90","","90","","2537","0.2","173","2","173","2","","","","","","","synthesis as described","4","P n m m :2","-P 2c 2bc","59","","","","- C53 H86 Eu2 Si2 -","- C53 H78 Eu2 Si2 -","- C106 H156 Eu4 Si4 -","2","0.25","","Summerscales, Owen T.; Jones, Simon C.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Anti-Bimetallic Complexes of Divalent Lanthanides with Silylated Pentalene and Cyclooctatetraenyl Bridging Ligands as Molecular Models for Lanthanide-Based Polymers","Organometallics","2009","28","20","5896","","10.1021/om900520h","","x-ray","0.71073","MoKα","","0.0799","0.0483","","","0.0949","0.1076","","","","","","1.017","","","","has coordinates,has disorder","178588","2020-10-21","18:00:00",""
"7702489","8.1466","0.0014","14.188","0.002","31.992","0.005","90","","90","","90","","3697.8","1","293","2","293","2","","","","","","","","6","P n m m :2","-P 2c 2bc","59","Complex 5","","","- C35 H40 Br4 Cu2 N8 O3 -","- C37.5 H24 Br4.113 Cu2 N8 O1.75 -","- C150 H96 Br16.452 Cu8 N32 O7 -","4","0.5","","Arnold, Phillip J.; Davies, Sian C.; Dilworth, Jonathan R.; Durrant, Marcus C.; Griffiths, D. Vaughan; Hughes, David L.; Richards, Raymond L.; Sharpe, Philip C.","Copper complexes of the functionalised tripodal ligand tris(2-pyridyl)methylamine and its derivatives †","Journal of the Chemical Society, Dalton Transactions","2001","","5","736","","10.1039/b008476j","","","0.71069","Mo-Kα","","0.1436","0.0729","","0.2561","0.185","","","","1.027","1.121","1.121","","","","","has coordinates","243881","2020-10-21","18:00:00",""
"9007503","8.7126","","5.8108","","18.5214","","90","","90","","90","","937.686","","","","","","","","","","","","","11","P n m m :2","-P 2c 2bc","59","","","Ardennite","- Al4.3 As0.905 Ca0.47 Cu0.06 Fe0.2 H4 Mg Mn3.53 O28 Si5 V0.095 -","- Al4.3 As0.905 Ca0.47 Cu0.06 Fe0.2 H6 Mg Mn3.53 O28 Si5 V0.095 -","- Al8.6 As1.81 Ca0.94 Cu0.12 Fe0.4 H12 Mg2 Mn7.06 O56 Si10 V0.19 -","2","0.25","","Donnay G; Allmann R","Si3O10 groups in the crystal structure of ardennite","Acta Crystallographica, Section B","1968","24","","845","855","10.1107/S0567740868003274","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9016046","8.6891","","5.7755","","36.9504","","90","","90","","90","","1854.31","","","","","","","","","","","","Piedmontese Nappe from Punta Gensane, Viu Valley, Western Alps, Italy","8","P n m m :2","-P 2c 2bc","59","","","Lavoisierite","- Al9.84 Ca0.84 H12 Mg2.6 Mn6.72 O56 P0.5 Si11.5 -","- Al9.84 Ca0.84 H12 Mg2.6 Mn6.72 O56 P0.5 Si11.5 -","- Al19.68 Ca1.68 H24 Mg5.2 Mn13.44 O112 P Si23 -","2","0.25","","Orlandi, P.; Biagioni, C.; Pasero, M.; Mellini, M.","Lavoisierite, Mn2+8[Al10(Mn3+Mg)][Si11P]O44(OH)12, a new mineral from Piedmont, Italy: the link between ""ardennite"" and sursassite","Physics and Chemistry of Minerals","2013","40","","239","249","10.1007/s00269-013-0564-x","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017547","8.7163","","5.8131","","18.5199","","90","","90","","90","","938.38","","","","","","","","","","","","Salm-Chateau, Ardennes, Belgium","10","P n m m :2","-P 2c 2bc","59","","","Ardennite-(As)","- Al5.022 As0.833 Ca0.69 Cu0.07 H6 Mg0.84 Mn3.31 O28 Si5.04 V0.195 -","- Al5.022 As0.833 Ca0.69 Cu0.07 H6 Mg0.84 Mn3.31 O28 Si5.04 V0.195 -","- Al10.044 As1.666 Ca1.38 Cu0.14 H12 Mg1.68 Mn6.62 O56 Si10.08 V0.39 -","2","0.25","","Nagashima, M.; Armbruster, T.","Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 tetrahedra in silicates","Mineralogical Magazine","2010","74","","55","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:12",""
"9017548","8.7452","","5.8314","","18.5891","","90","","90","","90","","947.984","","","","","","","","","","","","Vernetto mine, Val Lanzo, Torino, Piedmont, Italy","9","P n m m :2","-P 2c 2bc","59","","","Ardennite-(As)","- Al4.314 As0.73 Ca1.26 Fe0.244 H6 Mg1.08 Mn3.102 O28 Si5.27 -","- Al8.628 As1.46 Ca2.52 Fe0.488 H12 Mg2.16 Mn6.204 O56 Si10.54 -","- Al8.628 As1.46 Ca2.52 Fe0.488 H12 Mg2.16 Mn6.204 O56 Si10.54 -","","","","Nagashima, M.; Armbruster, T.","Ardennite, tiragalloite and medaite: structural control of (As5+,V5+,Si4+)O4 tetrahedra in silicates","Mineralogical Magazine","2010","74","","55","71","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:03:00",""