# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T11:33:21+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 1 2/a 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
"1000191","5.892","0.003","10.632","0.004","6.745","0.004","90","","105.88","0.04","90","","406.4","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Silver chromium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 Cr0.5 P S3 -","- Ag0.5001 Cr0.5 P S3 -","- Ag2.0004 Cr2 P4 S12 -","4","1","","Colombet, P; Leblanc, A; Danot, M; Rouxel, J","Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~","Nouveau Journal de Chimie","1983","7","","333","338","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000192","5.892","0.003","10.632","0.004","6.745","0.004","90","","105.88","0.04","90","","406.4","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Silver chromium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 Cr0.5 P S3 -","- Ag0.5 Cr0.5 P S3 -","- Ag2 Cr2 P4 S12 -","4","1","","Colombet, P; Leblanc, A; Danot, M; Rouxel, J","Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~","Nouveau Journal de Chimie","1983","7","","333","338","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1007013","11.643","0.008","4.918","0.004","8.705","0.005","90","","119.27","0.05","90","","434.8","","","","","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","ALUMINIUM AMMONIUM HYDROGENTRIPHOSPHATE","","- Al H5 N O10 P3 -","- Al H11 N O10 P3 -","- Al2 H22 N2 O20 P6 -","2","0.5","","Averbuch-Pouchot, M T; Durif, A; Guitel, J C","Structure cristalline d'un tripolyphosphate acide d'aluminium-ammonium: Al (N H~4~) H P~3~ O~10~","Acta Crystallographica B (24,1968-38,1982)","1977","33","","1436","1438","10.1107/S0567740877006244","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516248","17.211","0.003","12.442","0.002","22.955","0.003","90","","105.75","0.02","90","","4731","1.4","301.2","","301.2","","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C39 H59 Au2 Br O2 P2 -","- C39 H59 Au2 Br O2 P2 -","- C156 H236 Au8 Br4 O8 P8 -","4","1","","Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong","Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2005","4","1","149","153","10.1039/b410667a","","","0.71073","MoKalpha","","","0.0566","","","0.0836","","","","","2.489","2.489","","","","","has coordinates","188742","2020-10-21","18:00:00",""
"1524100","5.144","","5.7709","","4.8355","","90","","91.13","","90","","143.516","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","","","- In Nb O4 -","- In Nb O4 -","- In2 Nb2 O8 -","2","0.5","","Brixner, L.H.; Chen, H.-Y.","On the structural and luminescent properties of the In Ta(1-x) Nb(x) O4 system","Materials Research Bulletin","1980","15","","607","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524297","11.754","","5.1395","","7.6296","","90","","113.04","","90","","424.136","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Li (Al Si4 O10)","","- Al Li O10 Si4 -","- Al Li O10 Si4 -","- Al2 Li2 O20 Si8 -","2","0.5","","Effenberger, H.","Petalit, Li Al Si4 O10: Verfeinerung der Kristallstruktur, Diskussion der Raumgruppe und Infrarot-Messung","TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)","1980","27","","129","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524917","18.99","","4.715","","10.3","","90","","111.4","","90","","858.657","","","","","","","","","","","","","9","P 1 2/a 1","-P 2ya","13","","Ca5.24 (Y2.62 La2.62) (Al1.1 Fe0.9) (O H)4 (Si8 B8 O40 (O H)4)","","- Al1.1 B8 Ca5.24 Fe0.9 H8 La2.62 O48 Si8 Y2.62 -","- Al1.1 B8 Ca5.2352 Fe0.9 H4 La2.6228 O48 Si8 Y2.6228 -","- Al1.1 B8 Ca5.2352 Fe0.9 H4 La2.6228 O48 Si8 Y2.6228 -","1","0.25","","Mellini, M.; Merlino, S.","Hellandite: a new type of silicoborate chain","American Mineralogist","1977","62","","89","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528201","14.122","","9.858","","18.81","","90","","139.4","","90","","1704.14","","","","","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","(((S O4)2 (O H)) (Co (N H3)3)2)2 (S O4) (H2 O)8","","- Co4 H38 N12 O30 S5 -","- Co4 H38 N12 O30 S5 -","- Co8 H76 N24 O60 S10 -","2","0.5","","Wieghardt, K.; Maas, G.","Die Molekuel- und Kristallstruktur von Di-mue-sulfato-mue-hydroxo-bis(triammincobalt(III))-sul at 8-Hydrat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1971","385","","289","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530793","18.617","","6.844","","5.174","","90","","90.15","","90","","659.242","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Na3 Mg2 P5 O16","","- Mg2 Na3 O16 P5 -","- Mg2 Na3 O16 P5 -","- Mg4 Na6 O32 P10 -","2","0.5","","Smolin, Yu.I.; Shepelev, Yu.F.; Domanskii, A.I.; Majling, J.","A new type of phosphate radical P5 O16 in the Na3 Mg2 P5 O16 crystal","Kristallografiya","1978","23","","1264","1266","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1530904","5.24","","5.424","","5.062","","90","","96.08","","90","","143.062","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Lu Ta O4","","- Lu O4 Ta -","- Lu O4 Ta -","- Lu2 O8 Ta2 -","2","0.5","","Trunov, V.K.; Kinzhibalo, L.N.; Efremov, V.A.; Krongauz, V.G.","On the m' - structure of 'orthotantalates' of the rare earth elements","Doklady Akademii Nauk SSSR","1981","260","","103","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530905","5.29","","5.443","","5.103","","90","","96.44","","90","","146.006","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Er Ta O4","","- Er O4 Ta -","- Er O4 Ta -","- Er2 O8 Ta2 -","2","0.5","","Trunov, V.K.; Kinzhibalo, L.N.; Efremov, V.A.; Krongauz, V.G.","On the m' - structure of 'orthotantalates' of the rare earth elements","Doklady Akademii Nauk SSSR","1981","260","","103","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530906","5.319","","5.472","","5.131","","90","","96.58","","90","","148.357","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Dy Ta O4","","- Dy O4 Ta -","- Dy O4 Ta -","- Dy2 O8 Ta2 -","2","0.5","","Trunov, V.K.; Krongauz, V.G.; Kinzhibalo, L.N.; Efremov, V.A.","On the m' - structure of the 'orthotantalates' of the rare-earth elements","Doklady Akademii Nauk SSSR","1981","260","","103","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530907","5.356","","5.506","","5.168","","90","","96.69","","90","","151.367","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Gd Ta O4","","- Gd O4 Ta -","- Gd O4 Ta -","- Gd2 O8 Ta2 -","2","0.5","","Trunov, V.K.; Krongauz, V.G.; Efremov, V.A.; Kinzhibalo, L.N.","On the m' - structure of the 'orthotantalates' of the rare-earth elements","Doklady Akademii Nauk SSSR","1981","260","","103","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530908","5.302","","5.454","","5.115","","90","","96.46","","90","","146.972","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Y (Ta O4)","","- O4 Ta Y -","- O4 Ta Y -","- O8 Ta2 Y2 -","2","0.5","","Trunov, V.K.; Efremov, V.A.; Kinzhibalo, L.N.; Krongauz, V.G.","On the m' - structure of the 'orthotantalates' of the rare-earth elements","Doklady Akademii Nauk SSSR","1981","260","","103","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531309","19.032","","4.746","","10.248","","90","","110.97","","90","","864.351","","","","","","","","","","","","","14","P 1 2/a 1","-P 2ya","13","","Ca4 (Ce1.46 Ca0.37 Th0.17) (Al0.5 Fe0.38 Mg0.03 Ti0.07) (Be1.18 Li0.02) B3.99 Si3.98 O22 (O1.04 F0.53 (O H)0.43)","","- Al0.5 B3.99 Be1.18 Ca4.37 Ce1.46 F0.53 Fe0.38 H0.43 Li0.02 Mg0.03 O23.47 Si3.98 Th0.17 Ti0.07 -","- Al0.5 B4 Be1.18 Ca4.37 Ce1.46 F0.53 Fe0.38 Li0.024 Mg0.015 O23.47 Si4 Th0.17 Ti0.035 -","- Al B8 Be2.36 Ca8.74 Ce2.92 F1.06 Fe0.76 Li0.048 Mg0.03 O46.94 Si8 Th0.34 Ti0.07 -","2","0.5","","della Ventura, G.; Bonazzi, P.; Oberti, R.; Ottolini, L.","Ciprianiite and Mottanaite-(Ce), two new minerals of the Hellandite group from Latium (Italy)","American Mineralogist","2002","87","","739","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531310","19.059","","4.729","","10.291","","90","","111.33","","90","","863.993","","","","","","","","","","","","","14","P 1 2/a 1","-P 2ya","13","","Ca4 (Ce0.74 Ca0.60 Th0.66) (Al0.48 Fe0.40 Mg0.05 Ti0.10) (Be0.82 Li0.04) B4 Si4 O22 (O0.97 F0.49 (O H)0.54)","","- Al0.48 B4 Be0.82 Ca4.6 Ce0.74 F0.49 Fe0.4 H0.54 Li0.04 Mg0.05 O23.51 Si4 Th0.66 Ti0.1 -","- Al0.48 B4 Be0.82 Ca4.6 Ce0.76 F0.49 Fe0.4 H0.54 Li0.04 Mg0.05 O23.51 Si4 Th0.66 Ti0.1 -","- Al0.96 B8 Be1.64 Ca9.2 Ce1.52 F0.98 Fe0.8 H1.08 Li0.08 Mg0.1 O47.02 Si8 Th1.32 Ti0.2 -","2","0.5","","della Ventura, G.; Bonazzi, P.; Oberti, R.; Ottolini, L.","Ciprianiite and Mottanaite-(Ce), two new minerals of the Hellandite group from Latium (Italy)","American Mineralogist","2002","87","","739","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534277","17","","4","","17.5","","90","","111","","90","","1110.96","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Mo8.5 W1.5 O29","","- Mo8.5 O29 W1.5 -","- Mo8.5 O29 W1.5 -","- Mo17 O58 W3 -","2","0.5","","Blomberg, B.; Magneli, A.; Kihlborg, L.","The crystal structures of (Mo, W)10 O29 And (Mo, W)11 O32","Arkiv foer Kemi","1953","6","","133","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534278","16.6","","4","","18.7","","90","","74","","90","","1193.58","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Mo9.35 W1.65 O32","","- Mo9.35 O32 W1.65 -","- Mo9.35 O32 W1.65 -","- Mo18.7 O64 W3.3 -","2","0.5","","Blomberg, B.; Kihlborg, L.; Magneli, A.","The crystal structures of (Mo, W)10 O29 And (Mo, W)11 O32","Arkiv foer Kemi","1953","6","","133","138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534890","16.75","","4.03","","14.45","","90","","96","","90","","970.068","","","","","","","","","","","","","2","P 1 2/a 1","-P 2ya","13","","","","- Mo9 O26 -","- Mo9 O26 -","- Mo18 O52 -","2","0.5","","Magneli, A.","The crystal structures of Mo9 O26 (beta'-molybdenum oxide ) and Mo8 O23 (beta-molybdenum oxide)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1948","2","","501","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535553","5.298","","5.451","","5.111","","90","","96.45","","90","","146.668","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Y (Ta O4)","","- O4 Ta Y -","- O4 Ta Y -","- O8 Ta2 Y2 -","2","0.5","","Brixner, L.H.; Chen, H.-Y.","On the structural and luminescent properties of the M' Ln Ta O4 Rare Earth tantalates","Journal of the Electrochemical Society","1983","130","","2435","2443","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536725","50.64","","5.439","","6.701","","90","","32.64","","90","","995.475","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","(Mo.72 W.28)9 O25","","- Mo6.48 O25 W2.52 -","- Mo6.48 O25 W2.52 -","- Mo12.96 O50 W5.04 -","2","0.5","","Portemer, F.; Figlarz, M.; Kihlborg, L.; Sundberg, M.R.","Homologues of Mo4 O11 (mon) in the Mo-W-O system prepared by soft chemistry","Journal of Solid State Chemistry","1993","103","","403","414","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1542093","11.526","","7.628","","12.108","","90","","111.12","","90","","993.032","","","","","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","K3 (Cr (O2)2 (C N)3)","","- C3 Cr K3 N3 O4 -","- C3 Cr K3 N3 O4 -","- C12 Cr4 K12 N12 O16 -","4","1","","Stomberg, R.","The crystal structure of potassiumdiperoxotricyanochromate(IV), K3 (Cr (O2)2 (C N)3)","Arkiv foer Kemi","1965","23","","401","430","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544614","5.292","0.002","5.452","0.002","5.1149","0.0018","90","","95.89","0.03","90","","146.8","0.09","","","","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","iwashiroite-(Y)","","iwashiroite-(Y)","- E1.19 Nb0.39 O4 R Ta0.58 Ti0.02 Y0.81 -","- Ho0.22 Nb0.4 O4 Ta0.6 Y0.78 -","- Ho0.44 Nb0.8 O8 Ta1.2 Y1.56 -","2","0.5","","Hori, H.; Kobayashi, T.; Miyawaki, R.; Matsubara, S.; Yokoyama, K.; Shimizu, M.","Iwashiroite-(Y), YTaO3, a new mineral from Suishoyama, Kawamata town, Fukushima Prefecture, Japan","Journal of Mineralogical and Petrological Sciences","2006","101","","170","177","","","","","","","","","","","","","","","","","","","","","","has coordinates","188557","2020-10-21","18:00:00",""
"1550016","8.7802","","4.9087","","10.9191","","90","","90.33","","90","","470.599","","","","0","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","AlPO4 moganite alpha phase","","AlPO4 moganite alpha phase","- Al O4 P -","- Al O4 P -","- Al6 O24 P6 -","6","1.5","","Kanzaki, M.","Temperature-induced phase transition of AlPO4-moganite studies by in-situ Raman spectroscopy : alpha phase model optimized by DFT","Journal of Mineralogical and Petrological Sciences","2018","113","","126","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","273024","2022-02-18","04:20:37",""
"2001554","12.248","0.002","8.637","0.001","10.934","0.003","90","","92.25","0.01","90","","1155.8","0.4","298","","","","","","","","","","","4","P 1 2/a 1","-P 2yab","","","","","- C14 H13 N O2 -","- C14 H12 N O2 -","- C56 H48 N4 O8 -","4","1","HH1028","Yeap, G.-Y.; Teo, S.-B.; Fun, H.-K.; Teoh, S.-G.","Structure of 4-[(3-methoxyphenylimino)methyl]phenol","Acta Crystallographica Section C","1993","49","7","1396","1398","10.1107/S0108270193000654","","","0.71069","MoKα","","","0.0526","","","0.0566","","","","","1.32","1.32","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002235","4.992","","5.607","","4.637","","90","","90.06","","90","","129.8","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Iron(III) tetraoxoniobate","","- Fe Nb O4 -","- Fe Nb O4 -","- Fe2 Nb2 O8 -","2","0.5","","Harder, M; Mueller-Buschbaum, Hk","Fe Nb O4. Untersuchungen an Einkristallen mit Wolframit-und Al Nb O4- Struktur","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","99","105","10.1002/zaac.19794560111","","","","","","0.076","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2004068","10.664","0.002","9.829","0.004","20.058","0.002","90","","105.315","0.005","90","","2027.7","0.9","298","","298","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","bis(dicyclohexylammonium trithiocarbodiglycolate trithiocarbodiglycolic acid","","- C17 H29 N O4 S3 -","- C17 H29 N O4 S3 -","- C68 H116 N4 O16 S12 -","4","1","TA1016","Ng, S. W.","Bis(dicyclohexylammonium) Trithiocarbodiglycolate Trithiocarbodiglycolic Acid","Acta Crystallographica Section C","1995","51","10","2150","2152","10.1107/S010827019500312X","","","0.71073","MoKα","","0.0849","0.0435","","0.1186","0.0999","","","","0.992","1.067","1.067","","","","","has coordinates","196234","2020-10-21","18:00:00",""
"2007716","10.5933","0.0006","8.8517","0.0007","11.3495","0.0006","90","","91.606","0.004","90","","1063.81","0.12","287","2","287","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","10-bornanesulfonic acid 2-hydroxy-γ-sultone","endo-10,10-dimethyl-4-oxa-5-thiatricyclo[5.2.1.0^3,7^]decane-S,S-dioxide","","- C10 H16 O3 S -","- C10 H16 O3 S -","- C40 H64 O12 S4 -","4","1","CF1262","Muir, Kenneth W.; Rodger, Colin S.; Morris, David G.; Ryder, Karl S.","A Sultone Derived from Racemic Camphene","Acta Crystallographica Section C","1998","54","10","1546","1548","10.1107/S0108270198006179","","","0.71073","MoKα","","0.056","0.035","","0.11","0.095","","","","1.008","1.017","1.017","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2009664","14.742","0.002","9.078","0.001","15.162","0.002","90","","118.9","0.01","90","","1776.4","0.4","294","","294","","","","","","","","","2","P 1 2/a 1","-P 2ya","13","","trans-transoid-trans-transoid-trans- tetracyclo[16.4.0.0^2,9^.0^10,17^]docosa-5,13-diene","","- C22 H34 -","- C22 H34 -","- C88 H136 -","4","1","AB1112","Spek, Anthony L.; Timmermans, Petrus J. J. A.; Mackor, Adri","<i>trans</i>-<i>transoid</i>-<i>trans</i>-<i>transoid</i>-<i>trans</i>-Tetracyclo[16.4.0.0^2,9^.0^10,17^]docosa-5,13-diene","Acta Crystallographica Section C","1994","50","5","744","746","10.1107/S010827019301203X","","","1.5418","CuKα","","","0.064","","","0.059","","","","","0.79","0.79","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2012773","7.307","0.003","6.453","0.003","14.423","0.008","90","","101.83","0.03","90","","665.6","0.6","298","2","298","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Aqua(4,4'-oxydibenzoato-κO)cadmium(II)","","- C14 H10 Cd O6 -","- C14 H10 Cd O6 -","- C28 H20 Cd2 O12 -","2","0.5","SK1548","Hu, Mao-Lin; Gao, Peng; Ng, Seik Weng","Aqua(4,4'-oxydibenzoato-κ<i>O</i>)cadmium(II)","Acta Crystallographica Section C","2002","58","6","m323","m324","10.1107/S0108270102006352","","","0.71073","MoKα","","0.028","0.025","","","0.066","0.067","","","","","","1.05","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2101832","11.385","0.002","6.5565","0.0012","13.076","0.002","90","","96.24","0.011","90","","970.3","0.3","294","1","294","1","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","1,4-Diazabicyclo[2.2.2]octane- 4,4'-Isopropylidenediphenol (1/1)","","- C21 H28 N2 O2 -","- C21 H28 N2 O2 -","- C42 H56 N4 O4 -","2","0.5","AB0360","Ferguson, George","Crystal Engineering Using Bisphenols. Chains, Ladders and Sheets Formed by the Adducts of 1,4-Diazabicyclo[2.2.2]octane with Bisphenols: Structures of Adducts with 4,4'-Isopropylidenediphenol (1/1), 4,4'-Oxodiphenol (1/1) and 4,4'-Thiodiphenol (1/1 and 2/1)","Acta Crystallographica Section B","1997","53","3","513","520","10.1107/S0108768196014036","","","0.7107","MolybdenumKα","","0.1786","0.0587","","0.1707","0.1389","","","","0.928","1.246","1.246","","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2107345","9.429","","8.748","","27.038","","90","","93.25","","90","","2226.64","","","","","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","(Mg38.63 Sc3.10) (Li1.16 Si.07) Si40 O124","","- Li1.16 Mg38.63 O124 Sc3.1 Si40.07 -","- Li1.16 Mg38.642 O124 Sc3.108 Si40.07 -","- Li1.16 Mg38.642 O124 Sc3.108 Si40.07 -","1","0.25","","Takeuchi, Y.; Ito, J.; Kudoh, Y.","New Series of Superstructures Based on Clinopyroxene. I. The Structure of the 'Enstatite-IV' Series, (Mg(x-12)/3 Sc4) (Li4/3 Si(x-4)/3) Ox, with x = 100, 112 or 124","Acta Crystallographica B (39,1983-)","1984","40","","115","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2107346","9.429","","8.741","","21.808","","90","","91.2","","90","","1797","","","","","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","(Mg28.40 Sc4.62) Li1.33 Si32 O100","","- Li1.33 Mg28.4 O100 Sc4.62 Si32 -","- Li1.34 Mg28.58 O100 Sc4.662 Si32 -","- Li1.34 Mg28.58 O100 Sc4.662 Si32 -","1","0.25","","Takeuchi, Y.; Kudoh, Y.; Ito, J.","New Series of Superstructures Based on Clinopyroxene. I. The Structure of the 'Enstatite-IV' Series, (Mg(x-12)/3 Sc4) (Li4/3 Si(x-4)/3) Ox, with x = 100, 112 or 124","Acta Crystallographica B (39,1983-)","1984","40","","115","125","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2108790","12.0026","0.001","6.7859","0.0006","9.1005","0.0011","90","","88.835","0.009","90","","741.07","0.13","290","0.1","290","0.1","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C3 H17 Al N2 O14 S2 -","- C3 H17 Al N2 O14 S2 -","- C6 H34 Al2 N4 O28 S4 -","2","0.5","","Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław","Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O","Acta Crystallographica Section B","2021","77","2","","","10.1107/S2052520621001256","","","0.71073","MoKα","","0.0673","0.0498","","","0.1154","0.1214","","","","","","0.972","","","","has coordinates,has Fobs","263024","2021-03-13","05:56:11",""
"2205301","16.097","0.002","3.7144","0.0005","21.725","0.002","90","","110.758","0.007","90","","1214.6","0.3","93.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C16 H10 N4 O2 -","- C16 H10 N4 O2 -","- C64 H40 N16 O8 -","4","1","LH6350","Imoda, Tomohiko; Hirota, Tsuyoshi; Takahashi, Hiroo; Mizuguchi, Jin","3,6-Di-2-pyridylpyrrolo[3,4-<i>c</i>]pyrrole-1,4(2<i>H</i>,5<i>H</i>)-dione","Acta Crystallographica Section E","2005","61","3","o616","o618","10.1107/S1600536805002126","","","1.5418","CuKα","","","0.0913","","","","0.3457","","","","","","1.905","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2206159","16.547","0.004","6.053","0.002","16.924","0.004","90","","111.93","0.02","90","","1572.4","0.8","295","2","295","3","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","5-Bromo-1H-indole-3-carbaldehyde 2-nitrophenylhydrazone hemihydrate","","- C16 H12 Br N4 O3.5 -","- C16 H12 Br N4 O3.5 -","- C64 H48 Br4 N16 O14 -","4","1","CI6605","Ali, Hapipah M.; Abdul Halim, Siti Nadiah; Ng, Seik Weng","5-Bromo-1<i>H</i>-indole-3-carbaldehyde 2-nitrophenylhydrazone hemihydrate","Acta Crystallographica Section E","2005","61","7","o2308","o2309","10.1107/S1600536805020064","","","0.71073","MoKα","","0.0598","0.0382","","","0.0994","0.1101","","","","","","1.045","","","","has coordinates,has Fobs","201973","2020-10-21","18:00:00",""
"2311064","16.59999","","4","","18.7","","90","","74","","90","","1193.58","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","(Mo5.5 W5.5) O32","","- Mo5.5 O32 W5.5 -","- Mo5.5 O32 W5.5 -","- Mo11 O64 W11 -","2","0.5","","Magneli, A.","Structures of the Re O3 - type with Recurrent Dislocations of Atoms: 'Homologous Series' of Molybdenum and Tungsten Oxides","Acta Crystallographica (1,1948-23,1967)","1953","6","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2311067","17","","4","","17.5","","90","","111","","90","","1110.96","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","(Mo5 W5) O29","","- Mo5 O29 W5 -","- Mo5 O29 W5 -","- Mo10 O58 W10 -","2","0.5","","Magneli, A.","Structures of the Re O3 - type with recurrent dislocations of atoms: 'homologous series' of molybdenum and tungsten oxides","Acta Crystallographica (1,1948-23,1967)","1953","6","","495","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"3000295","5.88318","0.00013","10.6214","0.0002","6.745","0.0003","90","","106.043","0.0019","90","","405.07","0.02","293","","293","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","Silver chromium diphosphorus hexasulfide","Silver chromium diphosphorus hexasulfide","","- Ag Cr P2 S6 -","- Ag Cr P2 S6 -","- Ag2 Cr2 P4 S12 -","2","0.5","","Selter, Sebastian; Shemerliuk, Yuliia; Buechner, Bernd; Aswartham, Saicharan","Crystal Growth of the Quasi-2D Quarternary Compound Ag Cr P2 S6 by Chemical Vapor Transport","Crystals","2021","11","","500","","10.3390/cryst11050500","powder diffraction","x-ray","1.54059","CuKα~1~","","0.0545","0.0523","","0.0569","0.0567","","","","2.13","","","","","","","has coordinates","265070","2021-05-10","11:55:42",""
"4023793","12.484","0.008","7.148","0.003","27.263","0.005","90","","96.14","0.03","90","","2418.8","1.8","291","2","291","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","2-phenyl-pyrido[1,2-a][1,2,4]-triazol-3-ylidene-silver(I) hexafluorophosphate","","","- C24 H18 Ag F6 N6 P -","- C24 H18 Ag F6 N6 P -","- C96 H72 Ag4 F24 N24 P4 -","4","1","","Yajun Ma; Siping Wei; Jingbo Lan; Jingzhi Wang; Rugang Xie; Jingsong You","Pyrido[1,2-a][1,2,4]triazol-3-ylidenes as a New Family of Stable Annulated N-Heterocyclic Carbenes: Synthesis, Reactivity, and Their Application in Coordination Chemistry and Organocatalysis","Journal of Organic Chemistry","2008","73","","8256","8264","10.1021/jo801349d","","","0.71073","MoKα","","0.1123","0.0563","","","0.1541","0.1791","","","","","","1.087","","","","has coordinates","178416","2020-10-21","18:00:00",""
"4030742","9.39","0.001","7.678","0.001","12.992","0.001","90","","104.12","0.01","90","","908.38","0.17","","","293","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C4 H4 Ce Li O10 -","- C4 Ce Li O10 -","- C16 Ce4 Li4 O40 -","4","1","","Romero, S.; Mosset, A.; Trombe, J.-C.","Synthesis, characterization and structure of two new families of mixed oxalates; [M(Ln(H2O)n](C2O4).H2O with M = Li, Ln = La...Gd, n=1 or M = Na, Ln = Ce...Nd, n = 2","European Journal of Solid State and Inorganic Chemistry","1995","32","","1053","1063","","","x-ray","0.71073","MoKα","","","0.023","","","0.027","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030743","10.066","0.001","7.614","0.001","13.139","0.001","90","","102.12","0.02","90","","984.56","0.19","","","293","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C4 H6 Ce Na O11 -","- C4 Ce Na O11 -","- C16 Ce4 Na4 O44 -","4","1","","Romero, S.; Mosset, A.; Trombe, J.-C.","Synthesis, characterization and structure of two new families of mixed oxalates; [M(Ln(H2O)n](C2O4).H2O with M = Li, Ln = La...Gd, n=1 or M = Na, Ln = Ce...Nd, n = 2","European Journal of Solid State and Inorganic Chemistry","1995","32","","1053","1063","","","x-ray","0.71073","MoKα","","","0.02","","","0.028","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4068875","17.6549","0.0013","8.69","0.0006","17.7595","0.0015","90","","104.716","0.004","90","","2635.3","0.4","150","2","150","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C27 H36 N2 O2 Si W -","- C27 H36 N2 O2 Si W -","- C108 H144 N8 O8 Si4 W4 -","4","1","","Suzuki, Eiji; Komuro, Takashi; Okazaki, Masaaki; Tobita, Hiromi","Synthesis and Characterization of DMAP-Stabilized Aryl(silylene) Complexes and (Arylsilyl)(DMAP) Complexes of Tungsten: Mechanistic Study on the Interconversion between These Complexes via 1,2-Aryl Migration","Organometallics","2009","28","6","1791","","10.1021/om801140d","","","0.71069","MoKα","","0.0932","0.0726","","","0.121","0.1283","","","","","","1.193","","","","has coordinates","178578","2020-10-21","18:00:00",""
"4070456","13.41","0.003","13.946","0.003","23.514","0.005","90","","102.98","0.03","90","","4285.1","1.7","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","Gandelman-69(Yael-390)","","","- C16 H24 Cl2 N3 P Pd S -","- C16 H24 Cl2 N3 P Pd S -","- C128 H192 Cl16 N24 P8 Pd8 S8 -","8","2","","Schuster, Elaine M.; Botoshansky, Mark; Gandelman, Mark","Versatile, Selective, and Switchable Coordination Modes of Pincer Click Ligands","Organometallics","2009","28","24","7001","","10.1021/om900827g","","","0.71073","MoKα","","0.1455","0.0482","","","0.1093","0.145","","","","","","0.881","","","","has coordinates","178593","2020-10-21","18:00:00",""
"4073211","9.7874","0.0002","6.3569","0.0002","14.2795","0.0003","90","","105.868","0.0017","90","","854.58","0.04","150","1","150","1","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C10 H10 F V -","- C10 H10 F V -","- C40 H40 F4 V4 -","4","1","","Harvey, Benjamin G.; Arif, Atta M.; Glöckner, Andreas; Ernst, Richard D.","SF6as a Selective and Reactive Fluorinating Agent for Low-Valent Transition Metal Complexes#","Organometallics","2007","26","11","2872","","10.1021/om070175i","","","0.71073","MoKα","","0.0334","0.0278","","","0.0707","0.0747","","","","","","1.056","","","","has coordinates","178621","2020-10-21","18:00:00",""
"4076530","12.7787","0.0002","10.0476","0.0002","18.6854","0.0003","90","","108.326","0.0009","90","","2277.44","0.07","200","","200","","","","","","","","Research School of Chemistry","7","P 1 2/a 1","-P 2ya","13","","","","- C19 H31 B Cl N4 O Si -","- C19 H31 B Cl N4 O Si -","- C76 H124 B4 Cl4 N16 O4 Si4 -","4","1","","Cade, Ian A.; Hill, Anthony F.","1,1-Bis(N-methylimidazole)-2-(trimethylsilyl)-1-boracyclohexa-1,4-diene Chloride: A Stable Intermediate or Tangent en Route to 1-(N-Methylimidazole)borabenzene?","Organometallics","2012","31","5","2112","","10.1021/om300002y","","","0.71073","MoKα","","0.0641","0.0316","","0.1082","0.0757","0.1082","","","","","","0.9786","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4111482","24.4623","0.001","12.9181","0.0003","24.3219","0.001","90","","118.462","0.001","90","","6756.9","0.4","293","2","150","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C68 H83 N4 O4.5 S2 Zn2 -","- C68 H83 N4 O4.5 S2 Zn2 -","- C272 H332 N16 O18 S8 Zn8 -","4","1","","Bun Yeoul Lee; Heon Yong Kwon; Su Yeon Lee; Sung Jae Na; Song-i Han; Hoseop Yun; Hyosun Lee; Young-Whan Park","Bimetallic Anilido-Aldimine Zinc Complexes for Epoxide/CO2 Copolymerization","Journal of the American Chemical Society","2005","127","","3031","3037","10.1021/ja0435135","","","0.71073","MoKα","","0.1097","0.0717","","","0.2156","0.2316","","","","","","1.057","","","","has coordinates","178885","2020-10-21","18:00:00",""
"4111985","18.161","0.002","7.3428","0.0007","22.132","0.002","90","","113.698","0.002","90","","2702.5","0.5","110","","110","2","","","","","","","see text","2","P 1 2/a 1","-P 2ya","13","","","","- C36 H40 -","- C36 H40 -","- C144 H160 -","4","1","","Matthijs K. J. ter Wiel; Richard A. van Delden; Auke Meetsma; Ben L. Feringa","Light-Driven Molecular Motors: Stepwise Thermal Helix Inversion during Unidirectional Rotation of Sterically Overcrowded Biphenanthrylidenes","Journal of the American Chemical Society","2005","127","","14208","14222","10.1021/ja052201e","","","0.71073","MoKα","","0.0865","0.0507","","","0.1119","0.1278","","","","","","1.02","","","","has coordinates","178890","2020-10-21","18:00:00",""
"4112209","10.8715","0.0004","4.8081","0.0002","34.691","0.002","90","","91.415","0.004","90","","1812.79","0.15","203.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C80 H116 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0532","","","","0.1623","","","","","","1.788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112210","10.8779","0.0008","4.7946","0.0005","36.692","0.004","90","","94.818","0.006","90","","1906.9","0.3","203.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C21 H31 N O2 -","- C21 H31 N O2 -","- C84 H124 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0562","","","","0.1628","","","","","","1.278","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112211","10.9392","0.0006","4.8173","0.0002","46.006","0.002","90","","89.678","0.002","90","","2424.4","0.2","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C26 H41 N O2 -","- C26 H41 N O2 -","- C104 H164 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0501","","","","0.1609","","","","","","1.132","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112212","10.905","0.003","4.837","0.002","54.96","0.02","90","","91.938","0.008","90","","2897.3","1.8","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C31 H51 N O2 -","- C31 H50 N O2 -","- C124 H200 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0923","","","","0.2936","","","","","","1.639","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112216","10.871","0.001","4.9114","0.0005","27.191","0.003","90","","96.117","0.005","90","","1443.5","0.3","296.2","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C16 H21 N O2 -","- C16 H22 N O2 -","- C64 H88 N4 O8 -","4","1","","Kazuki Sada; Katsunari Inoue; Tomoyuki Tanaka; Akira Tanaka; Attila Epergyes; Sadamu Nagahama; Akikazu Matsumoto; Mikiji Miyata","Organic Layered Crystals with Adjustable Interlayer Distances of 1-Naphthylmethylammoniumn-Alkanoates and Isomerism of Hydrogen-Bond Networks by Steric Dimension","Journal of the American Chemical Society","2004","126","","1764","1771","10.1021/ja038379n","","","1.5418","CuKα","","","0.0598","","","","0.1801","","","","","","1.406","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4117783","20.2918","0.0002","45.0388","0.0004","29.4768","0.0003","90","","89.94","","90","","26939.4","0.5","193","2","193","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C168.25 B0 N8 O80 Pd4 Si2 W20 -","- C168.12 N8 O80 Pd4 Si2 W20 -","- C672.48 N32 O320 Pd16 Si8 W80 -","4","1","","Tomohisa Hirano; Kazuhiro Uehara; Keigo Kamata; Noritaka Mizuno","Palladium(II) Containing γ-Keggin Silicodecatungstate That Efficiently Catalyzes Hydration of Nitriles","Journal of the American Chemical Society","2012","134","","6425","6433","10.1021/ja3006012","","x-ray","0.71069","MoKα","","","0.0924","","","","0.2303","","","","","","1.054","","","","has coordinates","178948","2020-10-21","18:00:00",""
"4122509","23.4202","0.001","3.8518","0.0002","23.7888","0.0012","90","","116.409","0.004","90","","1922.03","0.17","123","2","123","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","Partially Constrained Triarylborane Brominated Derivative","","","- C30 H13.44 B Br1.56 -","- C30 H13.436 B Br1.564 -","- C120 H53.744 B4 Br6.256 -","4","1","","Matsuo, Kyohei; Saito, Shohei; Yamaguchi, Shigehiro","Photodissociation of B-N Lewis adducts: a partially fused trinaphthylborane with dual fluorescence.","Journal of the American Chemical Society","2014","136","36","12580","12583","10.1021/ja506980p","","","1.54187","CuKα","","0.1076","0.0816","","","0.1889","0.2093","","","","","","1.091","","","","has coordinates,has disorder","179027","2020-10-21","18:00:00",""
"4130109","15.408","0.003","11.14","0.002","18.912","0.004","90","","93.473","0.005","90","","3240.2","1.1","93.15","","93","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C36 H49 B N2 O -","- C36 H49 B N2 O -","- C144 H196 B4 N8 O4 -","4","1","","Kisu, Haruki; Sakaino, Hirotoshi; Ito, Fumihiro; Yamashita, Makoto; Nozaki, Kyoko","A Qualitative Analysis of a ""Bora-Brook Rearrangement"": The Ambident Reactivity of Boryl-Substituted Alkoxide Including the Carbon-to-Oxygen Migration of a Boryl Group.","Journal of the American Chemical Society","2016","138","10","3548","3552","10.1021/jacs.6b00283","","","0.71075","MoKα","","0.171","0.0954","","","0.2129","0.2619","","","","","","1.095","","","","has coordinates","240677","2020-10-21","18:00:00",""
"4302194","17.66","0.012","11.152","0.007","20.295","0.011","90","","98.86","0.02","90","","3949","4","153.1","","","","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C36 H35.5 Cl2 N7.5 Ni O13.5 -","- C36 H29 Cl2 N7.5 Ni O13.5 -","- C144 H116 Cl8 N30 Ni4 O54 -","4","1","","Atsushi Kunishita; Yoshitaka Doi; Minoru Kubo; Takashi Ogura; Hideki Sugimoto; Shinobu Itoh","Ni(II)/H2O2 Reactivity in Bis[(pyridin-2-yl)methyl]amine Tridentate Ligand System. Aromatic Hydroxylation Reaction by Bis(μ-oxo)dinickel(III) Complex","Inorganic Chemistry","2009","48","","4997","5004","10.1021/ic900059m","","","0.71075","MoKα","","","0.0577","","","","0.0837","","","","","","0.903","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4305978","18.478","0.003","22.337","0.004","24.275","0.003","90","","99.449","0.006","90","","9883","3","200","2","200","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C20 H48.7 Cl2 N3 O4.35 Rh S3 -","- C20 H30 Cl2 N3 O4.35714 Rh S3 -","- C280 H420 Cl28 N42 O61 Rh14 S42 -","14","3.5","","Nobuto Yoshinari; Takumi Konno","Separation and Optical Resolution of a Pair of atrop Diastereomers of the Octahedral Rhodium(III) Complex with a Nine-Membered S,S-Chelate Ring","Inorganic Chemistry","2008","47","","7450","7452","10.1021/ic800910e","","","0.71075","MoKα","","0.1349","0.0793","","","0.1777","0.2051","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4307763","21.475","0.009","21.955","0.009","11.352","0.005","90","","96.393","0.012","90","","5319","4","298","","298","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C82 H100.4 N26 Ni7 O32.2 -","- C82 H76 N26 Ni7 O32.2 -","- C164 H152 N52 Ni14 O64.4 -","2","0.5","","Theocharis C. Stamatatos; Eleanna Diamantopoulou; Catherine P. Raptopoulou; Vassilis Psycharis; Albert Escuer; Spyros P. Perlepes","Acetate/Di-2-pyridyl Ketone Oximate ""Blend"" as a Source of High-Nuclearity Nickel(II) Clusters: Dependence of the Nuclearity on the Nature of the Inorganic Anion Present","Inorganic Chemistry","2007","46","","2350","2352","10.1021/ic062262t","","","0.71073","MoKα","","0.0723","0.0453","","","0.115","0.1307","","","","","","1.099","","","","has coordinates","179115","2020-10-21","18:00:00",""
"4311696","7.391","0.006","6.273","0.005","14.256","0.011","90","","103.572","0.01","90","","642.5","0.9","293.1","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C14 H10 O6 Zn -","- C14 H8 O6 Zn -","- C28 H16 O12 Zn2 -","2","0.5","","Mitsuru Kondo; Yasuhiko Irie; Yusuke Shimizu; Makoto Miyazawa; Hiroyuki Kawaguchi; Akira Nakamura; Tetsuyoshi Naito; Kenji Maeda; Fumio Uchida","Dynamic Coordination Polymers with 4,4'-Oxybis(benzoate): Reversible Transformations of Nano- and Nonporous Coordination Frameworks Responding to Present Solvents","Inorganic Chemistry","2004","43","","6139","6141","10.1021/ic0496166","","","0.7107","MoKα","","","0.057","","","","0.065","","","","","","2.632","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4312644","21.2291","0.0014","8.6451","0.0005","25.7622","0.0017","90","","93.004","0.003","90","","4721.6","0.5","173","2","173","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C54 H42 Cl2 N5 Ni O -","- C54.06 H40 Cl1.98 N4.95 Ni O -","- C216.24 H160 Cl7.92 N19.8 Ni4 O4 -","4","1","","Ziwei Xiao; Brian O. Patrick; David Dolphin","Ni(III) Complex of an N-Confused Porphyrin Inner C-Oxide","Inorganic Chemistry","2003","42","","8125","8127","10.1021/ic020701s","","","0.71069","MoKα","","0.1123","0.071","","","0.1867","0.2087","","","","","","0.939","","","","has coordinates","179165","2020-10-21","18:00:00",""
"4318248","18.097","0.003","14.759","0.002","23.701","0.003","90","","99.87","0.02","90","","6236.7","1.6","301.2","","301.2","","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C54 H97 N4 O2.5 P4 Pt2 -","- C57 H81 N4 O2.5 P4 Pt2 -","- C228 H324 N16 O10 P16 Pt8 -","4","1","","Bao-Hui Xia; Chi-Ming Che; David Lee Phillips; King-Hung Leung; Kung-Kai Cheung","Metal-Metal Interactions in Dinuclear d8 Metal Cyanide Complexes Supported by Phosphine Ligands. Spectroscopic Properties and ab Initio Calculations of [M2(μ-diphosphine)2(CN)4] and trans-[M(phosphine)2(CN)2] (M = Pt, Ni)","Inorganic Chemistry","2002","41","","3866","3875","10.1021/ic020077j","","","0.7107","MoKalpha","","","0.0421","","","0.0661","","","","","1.764","1.764","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4318250","17.999","0.003","14.513","0.003","23.895","0.001","90","","99.298","0.007","90","","6159.8","1.7","301.2","","301.2","","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C54 H97 N4 Ni2 O2.5 P4 -","- C54 H96 N4 Ni2 O2.5 P4 -","- C216 H384 N16 Ni8 O10 P16 -","4","1","","Bao-Hui Xia; Chi-Ming Che; David Lee Phillips; King-Hung Leung; Kung-Kai Cheung","Metal-Metal Interactions in Dinuclear d8 Metal Cyanide Complexes Supported by Phosphine Ligands. Spectroscopic Properties and ab Initio Calculations of [M2(μ-diphosphine)2(CN)4] and trans-[M(phosphine)2(CN)2] (M = Pt, Ni)","Inorganic Chemistry","2002","41","","3866","3875","10.1021/ic020077j","","","0.7107","MoKalpha","","","0.0546","","","0.0862","","","","","2.19","2.19","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4329330","8.7438","0.0001","4.85855","0.00007","10.8602","0.0002","90","","90.1276","0.0009","90","","461.364","0.012","300","","300","","","","","","","","synthetic","3","P 1 2/a 1","-P 2ya","13","AlPO4 moganite","AlPO4 moganite structure (high pressure phase)","","- Al3 O12 P3 -","- Al3 O12 P3 -","- Al6 O24 P6 -","2","0.5","","Masami Kanzaki; Xianyu Xue","Structural Characterization of Moganite-Type AlPO4 by NMR and Powder X-ray Diffraction","Inorganic Chemistry","2012","51","","6164","6172","10.1021/ic300167k","powder diffraction","","0.50029","synchrotron","","0.02574","","","","","","0.02575","0.02959","1.8839","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4338634","17.2082","0.0004","9.2626","0.0003","18.4636","0.0006","90","","116.874","0.001","90","","2625.13","0.14","200","2","200","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C24 H36 Al Cl2 N P2 -","- C24 H36 Al Cl2 N P2 -","- C96 H144 Al4 Cl8 N4 P8 -","4","1","","Lee, Pei-Ying; Liang, Lan-Chang","Synthesis and Structural Characterization of Five-Coordinate Aluminum Complexes Containing Diarylamido Diphosphine Ligands","Inorganic chemistry","2009","48","12","5480","5487","10.1021/ic802030d","","","0.71073","MoKα","","0.1398","0.1111","","","0.3116","0.3355","","","","","","1.224","","","","has coordinates","210021","2020-10-21","18:00:00",""
"4512562","9.9651","0.0007","5.0604","0.0004","7.2114","0.0005","90","","109.332","0.0009","90","","343.15","0.04","150","","150","","","","","","","","","2","P 1 2/a 1","-P 2ya","13","","","","- O10 Ti6 -","- O10 Ti6 -","- O20 Ti12 -","2","0.5","","Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi","Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway","Crystal Growth & Design","2015","15","2","653","","10.1021/cg5013439","powder diffraction","","1.54059","CuKα~1~","","0.0148","","","","","","0.01487","0.02483","1.3629","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4513241","7.7617","0.0004","14.5317","0.0008","10.6247","0.0006","90","","108.296","0.003","90","","1137.79","0.11","293","2","293","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","N-iodo-succinimide/4-picoline","","","- C10 H11 I N2 O2 -","- C10 H11 I N2 O2 -","- C40 H44 I4 N8 O8 -","4","1","","Makhotkina, Olena; Lieffrig, Julien; Jeannin, Olivier; Fourmigué, Marc; Aubert, Emmanuel; Espinosa, Enrique","Cocrystal or Salt: Solid State-Controlled Iodine Shift in Crystalline Halogen-Bonded Systems","Crystal Growth & Design","2015","15","7","3464","","10.1021/acs.cgd.5b00535","","","0.71073","MoKα","","0.0673","0.034","","","0.0557","0.0634","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7005395","23.755","0.001","8.6928","0.0004","30.912","0.001","90","","108.134","0.001","90","","6066.2","0.4","100","1","293","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C63 H63 Cl3 N8 O11 Zn -","- C63 H63 Cl3 N8 O11 Zn -","- C252 H252 Cl12 N32 O44 Zn4 -","4","1","","Halime, Zakaria; Lachkar, Mohammed; Toupet, Loïc; Coutsolelos, Athanassios G.; Boitrel, Bernard","Coordination and structural studies of crowned-porphyrins.","Dalton transactions (Cambridge, England : 2003)","2007","","33","3684","3689","10.1039/b701889d","","","0.71069","MoKα","","0.0995","0.043","","","0.0996","0.1073","","","","","","0.861","","","","has coordinates","179757","2020-10-21","18:00:00",""
"7014690","24.8878","0.0012","9.5634","0.0005","25.2169","0.0012","90","","112.559","0.002","90","","5542.7","0.5","200","2","200","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C72 H64 N4 V2 -","- C72 H64 N4 V2 -","- C288 H256 N16 V8 -","4","1","","Chang, Kai-Chieh; Lu, Chia-Fu; Wang, Po-Yang; Lu, Duan-Yen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou","Ligand-controlled synthesis of vanadium(i) β-diketiminates and their catalysis in cyclotrimerization of alkynes.","Dalton transactions (Cambridge, England : 2003)","2011","40","10","2324","2331","10.1039/c0dt01061h","","","0.71073","MoKα","","0.1683","0.0714","","","0.1662","0.2118","","","","","","1.012","","","","has coordinates","179850","2020-10-21","18:00:00",""
"7016031","22.166","0.003","13.5778","0.0011","29.333","0.004","90","","103.516","0.006","90","","8583.7","1.8","123","2","123","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C81 H116 N Na O10 Ta2 -","- C81 H116 N Na O10 Ta2 -","- C324 H464 N4 Na4 O40 Ta8 -","4","1","","Watanabe, Takahito; Kurogi, Takashi; Ishida, Yutaka; Kawaguchi, Hiroyuki","Insertion and reduction chemistry of isocyanide with a cyclometalated ditantalum hydride complex.","Dalton transactions (Cambridge, England : 2003)","2011","40","30","7701","7703","10.1039/c1dt10040h","","","0.71075","MoKα","","0.0389","0.035","","","0.1037","0.1077","","","","","","1.089","","","","has coordinates","179864","2020-10-21","18:00:00",""
"7017384","18.3245","0.0002","10.8579","0.0001","22.0748","0.0003","90","","108.966","0.001","90","","4153.68","0.09","150","2","150","2","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C47 H56 Mg N4 -","- C47 H56 Mg N4 -","- C188 H224 Mg4 N16 -","4","1","","Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine","Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives.","Dalton transactions (Cambridge, England : 2003)","2011","40","46","12500","12509","10.1039/c1dt11235j","","","0.71073","MoKα","","0.0812","0.0523","","","0.1217","0.1403","","","","","","1.039","","","","has coordinates","179877","2020-10-21","18:00:00",""
"7021334","21.571","0.008","10.906","0.004","24.181","0.009","90","","110.853","0.003","90","","5316","3","123","2","123","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C62 H86 Cl2 Nb O4 -","- C60 H82 Cl2 Nb O3.5 -","- C240 H328 Cl8 Nb4 O14 -","4","1","","Kurogi, Takashi; Ishida, Yutaka; Hatanaka, Tsubasa; Kawaguchi, Hiroyuki","Reduction of carbon monoxide by a tetrakis(aryloxide)diniobium complex having four bridging hydrides.","Dalton transactions (Cambridge, England : 2003)","2013","42","21","7510","7513","10.1039/c2dt32798h","","","0.71075","MoKα","","0.1244","0.077","","","0.1792","0.217","","","","","","1.073","","","","has coordinates,has disorder","179918","2020-10-21","18:00:00",""
"7027141","23.288","0.005","13.901","0.002","29.507","0.009","90","","108.7","0.03","90","","9048","4","223","","223","","","","","","","","?","7","P 1 2/a 1","-P 2ya","13","","","","- C70.5 H71 F24 N12 O5.5 P4 Ru2 -","- C70.25 H71 F24 N12 O5.25 P4 Ru2 -","- C281 H284 F96 N48 O21 P16 Ru8 -","4","1","","Heirtzler, Fenton R.; Neuburger, Markus; Zehnder, Margareta; Bird, Steven J.; Orrell, Keith G.; Sik, Vladimir","Synthesis, 1H/13C NMR spectroscopic and structural studies of sterically induced internal dynamics in novel mono- and di-ruthenium(II) 2,2′∶6′,2″-terpyridine complexes of 2,3-bis(2,2′-bipyridin-6-yl)pyrazine","Journal of the Chemical Society, Dalton Transactions","1999","","4","565","","10.1039/a807970f","","","1.5418","CuKα","","","0.1145","","","0.1293","","","","","0.9467","0.9467","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051108","11.798","0.007","9.585","0.007","14.167","0.003","90","","110.95","0.02","90","","1496.2","1.4","293","2","293","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C36 H88 Cl3 Cu4 N11 O24 -","- C36 H88 Cl3 Cu4 N11 O24 -","- C36 H88 Cl3 Cu4 N11 O24 -","1","0.25","","Chaudhuri, N. R.; Hibbs, W.; Maji, T. K.; Mostafa, G.; Mukherjee, Partha Sarathi","","New Journal of Chemistry","2001","","","","","10.1039/b100468i","","","","","","","0.0988","","","0.2261","","","","","","","","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00",""
"7053227","14.5334","0.0006","14.2796","0.0005","15.2101","0.0005","90","","92.956","0.003","90","","3152.4","0.2","100","2","100","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C25 H57 F6 P2 Pd Sb -","- C25 H57 F6 P2 Pd Sb -","- C100 H228 F24 P8 Pd4 Sb4 -","4","1","","Walter, Marc D.; White, Peter S.; Brookhart, Maurice","Synthesis, structure and computational studies of a cationic T-shaped Pd-complex","New Journal of Chemistry","2013","37","4","1128","","10.1039/c3nj41145a","","","1.54185","CuKα","","0.0807","0.0564","","","0.1785","0.1953","","","","","","1.079","","","","has coordinates","180086","2020-10-21","18:00:00",""
"7116943","20.904","0.011","15.931","0.01","9.711","0.005","90","","104.65","0.03","90","","3129","3","298","","298","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C22 K N9 O2 -","- C22 K N9 O2 -","- C88 K4 N36 O8 -","4","1","","Yumi Yakiyama; Gil Ryeong Lee; Sung Yeon Kim; Yoshitaka Matsushita; Yasushi Morita; Moon Jeong Park; Masaki Kawano","Formation of a nanometer-thick water layer at high humidity on a dynamic crystalline material composed of multi-interactive molecules","Chem.Commun.","2015","51","","6828","","10.1039/C5cc01568E","powder diffraction","","1.5406","CuK_alpharadiation","","0.01443","","","","","","0.00953","0.01002","0.6594","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7116944","20.656","0.006","15.978","0.004","16.801","0.01","90","","100.68","0.03","90","","5449","4","298","","298","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","","- C22 K N9 O6 -","- C22 K N9 O6 -","- C88 K4 N36 O24 -","4","1","","Yumi Yakiyama; Gil Ryeong Lee; Sung Yeon Kim; Yoshitaka Matsushita; Yasushi Morita; Moon Jeong Park; Masaki Kawano","Formation of a nanometer-thick water layer at high humidity on a dynamic crystalline material composed of multi-interactive molecules","Chem.Commun.","2015","51","","6828","","10.1039/C5cc01568E","powder diffraction","","1.4639","synchrotron","","0.00499","","","","","","0.00497","0.00455","0.6428","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7132758","9.0759","0.0005","8.863","0.006","6.4822","0.0008","90","","96.228","0.005","90","","518.3","0.4","300","","300","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","Dimethylammonium Erbium(III) Formate Oxalate","22_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C12 H20 Er2 N2 O16 -","2","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0625","0.0567","","","0.1669","0.1769","","","","","","1.134","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132759","9.0907","0.0008","8.903","0.006","6.5091","0.0005","90","","96.38","0.006","90","","523.5","0.4","300","","300","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","Dimethylammonium Erbium(III) Formate Oxalate","20_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C12 H20 Er2 N2 O16 -","2","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0581","0.0515","","","0.1544","0.1615","","","","","","1.178","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132761","9.0471","0.0015","8.792","0.011","6.4339","0.0009","90","","96.131","0.01","90","","508.8","0.6","300","","300","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","Dimethylammonium Erbium(III) Formate Oxalate","24_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C12 H20 Er2 N2 O16 -","2","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0534","0.0461","","","0.1389","0.146","","","","","","1.092","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7132763","9.1025","0.0011","8.913","0.008","6.5273","0.0006","90","","96.442","0.007","90","","526.2","0.5","300","","300","","","","","","","","","5","P 1 2/a 1","-P 2ya","13","Dimethylammonium Erbium(III) Formate Oxalate","18_DMA01","","- C6 H10 Er N O8 -","- C6 H10 Er N O8 -","- C12 H20 Er2 N2 O16 -","2","0.5","","Hitchings, Thomas J.; Scatena, Rebecca; Allan, David R.; Cairns, Andrew B.; Saines, Paul J.","Negative linear compressibility exhibited by the hybrid perovskite [(NH<sub>2</sub>)<sub>3</sub>C]Er(HCO<sub>2</sub>)<sub>2</sub>(C<sub>2</sub>O<sub>4</sub>).","Chemical communications (Cambridge, England)","2024","60","24","3271","3274","10.1039/d3cc06208b","","","0.4859","Synchrotron","","0.0572","0.0503","","","0.1426","0.1515","","","","","","1.194","","","","has coordinates","290812","2024-04-04","22:28:32",""
"7211717","16.4673","0.0012","16.426","0.0014","24.711","0.002","90","","91.847","0.003","90","","6680.7","0.9","100","2","100","2","","","","","","","synthesis as described","6","P 1 2/a 1","-P 2ya","13","","Bis(tetraethylammonium thiocyanate), 1,4-diiodotetrafluorobenzene","","- C48 H40 F20 I10 N4 S2 -","- C48 H40 F20 I10 N4 S2 -","- C192 H160 F80 I40 N16 S8 -","4","1","","Cauliez, Pascal; Polo, Victor; Roisnel, Thierry; Llusar, Rosa; Fourmigué, Marc","The thiocyanate anion as a polydentate halogen bond acceptor","CrystEngComm","2010","12","2","558","","10.1039/b913559f","","x-ray","0.71073","MoKα","","0.0763","0.0629","","","0.1496","0.1542","","","","","","1.216","","","","has coordinates","180448","2020-10-21","18:00:00",""
"7222412","5.1057","","5.8545","","5.1062","","90","","110.039","","90","","143.391","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Li2.81 Ru0.04 (Ru O4)","","- Li2.81 O4 Ru1.04 -","- Li2.808 O4 Ru1.039 -","- Li5.616 O8 Ru2.078 -","2","0.5","","Alexander, A.; Grey, C.P.; Burley, J.C.; Battle, P.D.; Gallon, D.J.; Kim Sang-Hwan","Structural and magnetic properties of Li3 Ru O4","Journal of Materials Chemistry","2003","13","","2612","2616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7228418","5.10555","0.00008","5.85403","0.00007","5.10587","0.00006","90","","110.039","0.001","90","","143.366","0.003","","","293","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","","","- Li3 O4 Ru -","- Li3 O4 Ru -","- Li6 O8 Ru2 -","2","0.5","","Bush, T. S.; Catlow, C. R. A.; Battle, P. D.","Evolutionary programming techniques for predicting inorganic crystal structures","Journal of Materials Chemistry","1995","5","","1269","1272","","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","0.084","","","","","","","","has coordinates","197601","2020-10-21","18:00:00",""
"7229654","22.4157","0.0008","8.5771","0.0003","24.0509","0.0008","90","","114.281","0.004","90","","4215","0.3","293","2","293","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C50 H52 Br2 N2 Ni -","- C50 H52 Br2 N2 Ni -","- C200 H208 Br8 N8 Ni4 -","4","1","","Sun, Jinlong; Wang, Fuzhou; Li, Weimin; Chen, Min","Ligand steric effects on α-diimine nickel catalyzed ethylene and 1-hexene polymerization","RSC Advances","2017","7","87","55051","","10.1039/C7RA11783C","","","1.5418","CuKα","","0.1146","0.0823","","","0.1875","0.2022","","","","","","1.26","","","","has coordinates","203970","2020-10-21","18:00:00",""
"7239147","11.6361","0.0004","6.8244","0.0002","12.1675","0.0005","90","","103.755","0.004","90","","938.5","0.06","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Gd N6 O14 -","- C8 H12 Cl Cu2 Gd N6 O14 -","- C16 H24 Cl2 Cu4 Gd2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0282","0.0265","","","0.0598","0.0606","","","","","","1.122","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239148","11.6342","0.0004","6.8158","0.0003","12.1505","0.0004","90","","103.834","0.004","90","","935.54","0.06","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 N6 O14 Tb -","- C8 H8 Cl Cu2 N6 O14 Tb -","- C16 H16 Cl2 Cu4 N12 O28 Tb2 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.1036","0.0936","","","0.257","0.2699","","","","","","1.102","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239149","11.55","0.002","6.7557","0.0015","12.137","0.003","90","","103.35","0.03","90","","921.4","0.4","128","2","128","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Dy N6 O14 -","- C8 H12 Cl Cu2 Dy N6 O14 -","- C16 H24 Cl2 Cu4 Dy2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0873","0.076","","","0.1603","0.169","","","","","","1.06","","","","has coordinates,has disorder","244574","2020-10-21","18:00:00",""
"7239150","11.5691","0.0017","6.7563","0.0009","12.088","0.002","90","","103.437","0.015","90","","919","0.2","293","2","293","2","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Ho N6 O14 -","- C8 H12 Cl Cu2 Ho N6 O14 -","- C16 H24 Cl2 Cu4 Ho2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0483","0.046","","","0.0971","0.0985","","","","","","1.165","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7239151","11.5842","0.001","6.772","0.0006","12.0905","0.0015","90","","103.604","0.011","90","","921.87","0.17","128.7","0.14","128.7","0.14","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","","- C8 H12 Cl Cu2 Er N6 O14 -","- C8 H8 Cl Cu2 Er N6 O14 -","- C16 H16 Cl2 Cu4 Er2 N12 O28 -","2","0.5","","Zou, Ji-Yong; Xu, Na; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","A new family of 3d‒4f heterometallic coordination polymers assembled with 1H-1,2,3-triazole-4,5-dicarboxylic acid: syntheses, structures and magnetic properties","RSC Advances","2013","3","44","21511","","10.1039/c3ra43118e","","","0.71073","MoKα","","0.0638","0.0624","","","0.1384","0.1392","","","","","","1.208","","","","has coordinates","244574","2020-10-21","18:00:00",""
"7243524","10.7358","0.0005","9.7979","0.0004","13.1395","0.0004","90","","93.928","0.003","90","","1378.87","0.1","140","2","140","2","","","","","","","synthesis as described","3","P 1 2/a 1","-P 2ya","13","","","","- C34 H15 N9 -","- C34 H15 N9 -","- C68 H30 N18 -","2","0.5","","Ripoche, Nicolas; Betou, Marie; Philippe, Clotilde; Trolez, Yann; Mongin, Olivier; Dudek, Marta; Pokladek, Ziemowit; Matczyszyn, Katarzyna; Samoc, Marek; Sahnoune, Hiba; Halet, Jean-François; Roisnel, Thierry; Toupet, Loic; Cordier, Marie; Moxey, Graeme; Humphrey, Mark G.; Paul, Frédéric","Two-Photon Absorption Properties of Multipolar Triarylamino/ Tosylamido 1,1,4,4-Tetracyanobutadienes","Physical Chemistry Chemical Physics","2021","","","","","10.1039/D1CP03346H","","x-ray","0.71073","MoKα","","0.0812","0.0474","","","0.0968","0.1149","","","","","","1.009","","","","has coordinates","269160","2021-09-16","00:33:56",""
"8101575","12.553","0.003","6.531","0.003","12.587","0.003","90","","110.25","0.01","90","","968.1","0.6","293","2","293","2","","","","","","","","6","P 1 2/a 1","-P 2ya","13","","","","- C10 H28 F6 N2 O6 Ta -","- C10 H28 F6 N2 O6 Ta -","- C20 H56 F12 N4 O12 Ta2 -","2","0.5","","Ramos Silva, M.; Matos Beja, A.; Paixão, J. A.; Alte da Veiga, L.; Martin-Gil, J.","Crystal structure of betainium hexafluorotantalum(IV) dihydrate, (C~5~H~12~NO~2~)~2~TaF~6~ · 2H~2~O","Zeitschrift für Kristallographie - New Crystal Structures","1999","214","4","477","478","","","","","","","","0.0299","","","0.0676","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"9000404","14.94","","7.14","","9.93","","90","","110.16","","90","","994.353","","","","","","","","","","","","Tip Top mine, Custer Country, South Dakota, USA","7","P 1 2/a 1","-P 2ya","13","","","Jahnsite-(CaMnMg)","- Ca Fe2 H18 Mg2 Mn O26 P4 -","- Ca Fe2 H18 Mg2 Mn O26 P4 -","- Ca2 Fe4 H36 Mg4 Mn2 O52 P8 -","2","0.5","","Moore, P. B.; Araki, T.","Jahnsite, CaMnMg2(H2O)8Fe2(OH)2[PO4]4: A novel stereoisomerism of ligands about octahedral corner-chains","American Mineralogist","1974","59","","964","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:30",""
"9000546","18.99","","4.715","","10.3","","90","","111.4","","90","","858.657","","","","","","","","","","","","","8","P 1 2/a 1","-P 2ya","13","","","Hellandite-(Y)","- Al0.55 B4 Ca2.616 Fe0.45 H2 O24 Si4 Y2.622 -","- Al0.55 B4 Ca2.616 Fe0.45 H2 O24 Si4 Y2.622 -","- Al1.1 B8 Ca5.232 Fe0.9 H4 O48 Si8 Y5.244 -","2","0.5","","Mellini, M.; Merlino, S.","Hellandite: a new type of silicoborate chain","American Mineralogist","1977","62","","89","99","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:00",""
"9002169","19.068","","4.745","","10.289","","90","","111.18","","90","","868.041","","","","","","","","","","","","","19","P 1 2/a 1","-P 2ya","13","","","Hellandite-(Ce)","- Al0.83 B4 Be0.74 Ca4.2 Ce0.66 F0.5 Fe0.65 H0.5 La0.3 Li0.24 Mg0.11 Nd0.24 O23.5 Pr0.06 Si4 Th0.36 Ti0.41 U0.06 Y0.12 -","- Al0.83 B4 Be0.74 Ca4.2 Ce0.66 F0.5 Fe0.65 H0.5 La0.3 Li0.24 Mg0.11 Nd0.24 O23.5 Pr0.06 Si4 Th0.36 Ti0.41 U0.06 Y0.12 -","- Al1.66 B8 Be1.48 Ca8.4 Ce1.32 F Fe1.3 H La0.6 Li0.48 Mg0.22 Nd0.48 O47 Pr0.12 Si8 Th0.72 Ti0.82 U0.12 Y0.24 -","2","0.5","","Oberti, R.; Ottolini, L.; Camara, F.; Della Ventura, G.","Crystal structure of non-metamict Th-rich hellandite-(Ce) from Latium (Italy) and crystal chemistry of the hellandite-group minerals","American Mineralogist","1999","84","","913","921","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002729","19.032","","4.746","","10.248","","90","","110.97","","90","","864.351","","","","","","","","","","","","","22","P 1 2/a 1","-P 2ya","13","","","Mottanaite-(Ce)","- Al0.497 B4 Be1.18 Ca4.372 Ce0.772 Eu0.002 F0.49 Fe0.384 Gd0.006 H0.544 La0.456 Li0.026 Mg0.035 Nd0.142 O22.544 Pr0.068 Si4 Sm0.008 Th0.152 Ti0.07 U0.016 Y0.006 -","- Al0.497 B4 Be1.18 Ca4.372 Ce0.772 Eu0.002 F0.49 Fe0.384 Gd0.006 H0.544 La0.456 Li0.026 Mg0.035 Nd0.142 O22.544 Pr0.068 Si4 Sm0.008 Th0.152 Ti0.07 U0.016 Y0.006 -","- Al0.994 B8 Be2.36 Ca8.744 Ce1.544 Eu0.004 F0.98 Fe0.768 Gd0.012 H1.088 La0.912 Li0.052 Mg0.07 Nd0.284 O45.088 Pr0.136 Si8 Sm0.016 Th0.304 Ti0.14 U0.032 Y0.012 -","2","0.5","","Della Ventura, G.; Bonazzi, P.; Oberti, R.; Ottolini, L.","Ciprianiite and mottanaite-(Ce), two new minerals of the hellandite group from Latium (Italy)","American Mineralogist","2002","87","","739","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","283868","2023-05-18","14:40:09",""
"9002730","19.059","","4.729","","10.291","","90","","111.33","","90","","863.993","","","","","","","","","","","","","24","P 1 2/a 1","-P 2ya","13","","","Ciprianiite","- Al0.479 B4 Be0.818 Ca4.604 Ce0.352 Dy0.002 Eu0.002 F0.49 Fe0.377 Gd0.008 H0.544 La0.09 Li0.038 Mg0.047 Mn0.016 Nd0.19 O22.544 Pr0.054 Si4 Sm0.02 Th0.628 Ti0.097 U0.034 Y0.016 -","- Al0.479 B4 Be0.818 Ca4.604 Ce0.352 Dy0.002 Eu0.002 F0.49 Fe0.377 Gd0.008 H0.544 La0.09 Li0.038 Mg0.047 Mn0.016 Nd0.19 O22.544 Pr0.054 Si4 Sm0.02 Th0.628 Ti0.097 U0.034 Y0.016 -","- Al0.958 B8 Be1.636 Ca9.208 Ce0.704 Dy0.004 Eu0.004 F0.98 Fe0.754 Gd0.016 H1.088 La0.18 Li0.076 Mg0.094 Mn0.032 Nd0.38 O45.088 Pr0.108 Si8 Sm0.04 Th1.256 Ti0.194 U0.068 Y0.032 -","2","0.5","","Della Ventura, G.; Bonazzi, P.; Oberti, R.; Ottolini, L.","Ciprianiite and mottanaite-(Ce), two new minerals of the hellandite group from Latium (Italy)","American Mineralogist","2002","87","","739","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:39:41",""
"9004055","28.097","","4.777","","10.236","","90","","96.81","","90","","1364.18","","","","","","","","","","","","Vetralla, Italy","13","P 1 2/a 1","-P 2ya","13","","","Piergorite-(Ce)","- Al0.49 B8 Be0.54 Ca8.6 Ce1.1 F0.24 Fe0.35 H1.76 Li0.3 O37.76 Si6 Th0.3 Ti0.16 -","- Al0.49 B8 Be0.54 Ca8.6 Ce1.1 F0.24 Fe0.35 H1.76 Li0.3 O37.76 Si6 Th0.3 Ti0.16 -","- Al0.98 B16 Be1.08 Ca17.2 Ce2.2 F0.48 Fe0.7 H3.52 Li0.6 O75.52 Si12 Th0.6 Ti0.32 -","2","0.5","","Boiocchi, M.; Callegari, A.; Ottolini, L.","The crystal structure of piergorite-(Ce), Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2: A new borosilicate from Vetralla, Italy, with a modified hellandite-type chain","American Mineralogist","2006","91","","1170","1177","10.2138/am.2006.2139","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004473","19.058","","4.729","","10.321","","90","","111.39","","90","","866.112","","","","","","","","","","","","Dara-i-Pioz, Tadzhikistan","19","P 1 2/a 1","-P 2ya","13","","","Tadzhikite-(Ce)","- Al0.07 B4 Ca4 Ce8 Dy4 Er4 Fe0.3 Gd4 H12 La8 Mn0.04 Na2 Nd8 O38 Pr4 Si4 Sm4 Ti0.56 Y2 -","- Al0.07 B4 Ca2.86 Ce0.82 Dy0.12 Er0.04 Fe0.3 Gd0.08 H6 La0.2 Mn0.04 Na0.24 Nd0.4 O24 Pr0.08 Si4 Sm0.08 Ti0.56 Y0.9 -","- Al0.14 B8 Ca5.72 Ce1.64 Dy0.24 Er0.08 Fe0.6 Gd0.16 H12 La0.4 Mn0.08 Na0.48 Nd0.8 O48 Pr0.16 Si8 Sm0.16 Ti1.12 Y1.8 -","2","0.5","","Hawthorne, F. C.; Cooper, M. A.; Taylor, M. C.","Refinement of the crystal structure of tadzhikite","The Canadian Mineralogist","1998","36","","817","822","","","","","","","","","","","","","","","","","","","","","warnings","has coordinates","283912","2023-05-21","08:41:26",""
"9005318","14.556","","13.206","","7.513","","90","","110.75","","90","","1350.52","","","","","","","","","","","","","7","P 1 2/a 1","-P 2ya","13","","","Leonhardite","- Al4.072 Ca1.276 H4.534 K0.795 Na0.62 O31 Si7.928 -","- Al4.072 Ca1.276 H13.94 K0.795 Na0.62 O30.97 Si7.928 -","- Al8.144 Ca2.552 H27.88 K1.59 Na1.24 O61.94 Si15.856 -","2","0.5","","Baur, W. H.; Joswig, W.; Fursenko, B. A.; Belitsky, I. A.","Symmetry reduction of the aluminosilicate framework of LAU topology by ordering of exchangeable cations: the crystal structure of primary leonhardite with a primitive Bravais lattice","European Journal of Mineralogy","1997","9","","1173","1182","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9008204","5.61","","5.7","","9.15","","90","","93","","90","","292.189","","","","","","","","","","","","Langban, Sweden","4","P 1 2/a 1","-P 2ya","13","","","Quenselite","- H Mn O3 Pb -","- H Mn O3 Pb -","- H4 Mn4 O12 Pb4 -","4","1","","Rouse, R. C.","The crystal structure of quenselite","Zeitschrift fur Kristallographie","1971","134","","321","332","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9008304","11.737","","5.171","","7.63","","90","","112.54","","90","","427.706","","","","","","","","","","","","Varutrask, Sweden","4","P 1 2/a 1","-P 2ya","13","","","Petalite","- Al Li O10 Si4 -","- Al Li O10 Si4 -","- Al2 Li2 O20 Si8 -","2","0.5","","Tagai, T.; Ried, H.; Joswig, W.; Korekawa, M.","Kristallographische untersuchungen eines petalits mittels neutronenbeugung und transmissionselektronenmikroskopie Locality: Varutrask, Sweden","Zeitschrift fur Kristallographie","1982","160","","159","170","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58",""
"9008439","17.032","","7.363","","7.012","","90","","90.36","","90","","879.334","","","","","","","","","","","","model structure, not experimentally determined","3","P 1 2/a 1","-P 2ya","13","","","Xonotlite","- Ca6 O19 Si6 -","- Ca6 O19 Si6 -","- Ca12 O38 Si12 -","2","0.5","","Hejny, C.; Armbruster, T.","Polytypism in xonotlite Ca6Si6O17(OH)2 Note: polytype derived from structure in Kudoh and Takeuchi (1979)","Zeitschrift fur Kristallographie","2001","216","","396","408","10.1524/zkri.216.7.396.20363","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:59",""
"9010455","15.0811","","7.1403","","9.8299","","90","","110.445","","90","","991.841","","","","","","","","","","","","Tip Top mine, Custer County, South Dakota","6","P 1 2/a 1","-P 2ya","13","","","Jahnsite","- Fe3 H18 Mg2 Na O26 P4 -","- Fe3 H18 Mg2 Na O26 P4 -","- Fe6 H36 Mg4 Na2 O52 P8 -","2","0.5","","Kampf, A. R.; Steele, I. M.; Loomis, T. A.","Jahnsite-(NaFeMg), a new mineral from the Tip Top mine, Custer County, South Dakota: Description and crystal structure","American Mineralogist","2008","93","","940","945","10.2138/am.2008.2771","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011071","5.292","","5.451","","5.11","","90","","96.44","","90","","146.476","","","","","","","","","","","","Synthetic","3","P 1 2/a 1","-P 2ya","13","","","Formanite-(Y)","- O4 Ta Y -","- O4 Ta Y -","- O8 Ta2 Y2 -","2","0.5","","Wolten, G. M.","The structure of the M'-phase of YTaO4, a third fergusonite polymorph","Acta Crystallographica","1967","23","","939","944","10.1107/S0365110X67004098","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011903","18.946","","4.714","","10.302","","90","","111.58","","90","","855.593","","","","","","","","","","","","","8","P 1 2/a 1","-P 2ya","13","","","Tadzhikite-(Ce)","- Al0.26 B4 Ca4 Ce2 Fe0.34 O24 Si4 Ti0.4 -","- Al0.26 B4 Ca4 Ce2 Fe0.34 O24 Si4 Ti0.4 -","- Al0.52 B8 Ca8 Ce4 Fe0.68 O48 Si8 Ti0.8 -","2","0.5","","Chernitsova, N. M.; Pudovkina, Z. V.; Pyatenko, Y. A.","About the crystal structure of tadzhikite {(Ca,Tr)4(Y,Tr)2(Ti,Fe,Al)(O,OH)2 [Si4B4O22]}","Soviet Physics Doklady","1982","27","","367","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011922","8.006","","6.649","","8.012","","90","","104.21","","90","","413.444","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","","Hexahydroborite","- B2 Ca H12 O10 -","- B2 Ca H12 O10 -","- B4 Ca2 H24 O20 -","2","0.5","","Simonov, M. A.; Yamnova, N. A.; Kazanskaya, E. V.; Egorov-Tismenko Yu K; Belov, N. V.","Crystal structure of Ca(B(OH)4)2(H2O)2 Note: Data is transformed from 1st setting to 2nd setting","Doklady Akademii Nauk SSSR","1976","228","","1337","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012396","9.915","","17.951","","5.243","","90","","105.95","","90","","897.246","","","","","","","","","","","","Langban, Sweden","10","P 1 2/a 1","-P 2ya","13","","","Joesmithite","- Be1.694 Ca1.9 Fe2.449 H2 K0.072 Mg2.551 Na0.1 O24 Pb0.928 Si6.306 -","- Be1.694 Ca1.9 Fe2.449 H2 K0.072 Mg2.551 Na0.1 O24 Pb0.928 Si6.306 -","- Be3.388 Ca3.8 Fe4.898 H4 K0.144 Mg5.102 Na0.2 O48 Pb1.856 Si12.612 -","2","0.5","","Moore, P. B.; Davis, A. M.; Van Derveer, D. G.; Sen Gutpa, P. K.","Joesmithite, a plumbous amphibole revisited and comments on bond valences","Mineralogy and Petrology","1993","48","","97","113","10.1007/BF01163090","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9014600","14.941","","6.9495","","10.054","","90","","111","","90","","974.594","","","","","","","","","","","","Hagendorf-Sud, Bavaria, Germany","8","P 1 2/a 1","-P 2ya","13","","","Whiteite-(CaMnMn)","- Al1.76 Ca Fe1.95 H18 Mg0.29 Mn O26 P4 -","- Al1.76 Ca1.18 Fe1.95 H18 Mg0.29 Mn O26 P4 -","- Al3.52 Ca2.36 Fe3.9 H36 Mg0.58 Mn2 O52 P8 -","2","0.5","","Grey, I. E.; Mumme, W. G.; Neville, S. M.; Wilson, N. C.; Birch, W. D.","Jahnsite - whiteite solid solutions and associated minerals in the phosphate pegmatite at Hagendorf-Sud, Bavaria, Germany","Mineralogical Magazine","2010","74","","969","978","10.1180/minmag.2010.074.6.969","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9015830","15.02","","6.959","","10.137","","90","","111.74","","90","","984.199","","","","","","","","","","","","Hagendorf-Sud granitic pegmatite, Germany","9","P 1 2/a 1","-P 2ya","13","","","Whiteite-(CaMnMn)","- Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07 -","- Al1.84 Ca0.93 Fe0.16 H18 Mg0.04 Mn2.96 O26 P4 Zn0.07 -","- Al3.68 Ca1.86 Fe0.32 H36 Mg0.08 Mn5.92 O52 P8 Zn0.14 -","2","0.5","","Yakovenchuk, V. N.; Keck, E.; Krivovichev, S. V.; Pakhomovsky, Y. A.; Selivanova, E. A.; Mikhailova, J. A.; Chernyatieva, A. P.; Ivanyuk, G. Y.","Whiteite-(CaMnMn), CaMnMn2Al2[PO4]4(OH)2*8H2O, a new mineral from the Hagendorf-Sud granitic pegmatite, Germany","Mineralogical Magazine","2012","76","","2761","2771","10.1180/minmag.2012.076.7.09","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016502","14.87","","6.9785","","9.9268","","90","","110.11","","90","","967.306","","","","","","","","","","","","Crosscut Creek, Yukon, Canada","8","P 1 2/a 1","-P 2ya","13","","","Whiteite","- Al2 Ca0.95 Fe0.9 H18 Mg2 Na0.11 O26 P4 -","- Al4.096 Ca1.9 Fe1.8 H36.668 Mg4.02 Na0.22 O52.328 P8 -","- Al4.096 Ca1.9 Fe1.8 H36.668 Mg4.02 Na0.22 O52.328 P8 -","","","","Capitelli, F.; Chita, G.; Cavallo, A.; Bellatreccia, F.; Ventura, G.","Crystal structure of whiteite-(CaFeMg) from Crosscut Creek, Canada","Zeitschrift fur Kristallographie","2011","226","","731","738","","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017202","18.609","","4.6307","","10.143","","90","","111.475","","90","","813.371","","","","","","","","","","","","Heftetjern, Tordal, Telemark, Norway","10","P 1 2/a 1","-P 2ya","13","","","Hellandite-(Y)","- Al0.92 B4 Ca1.582 Fe0.08 H2 Mn0.88 O24 Si4 Y2.752 Yb0.386 -","- Al1.84 B8 Ca3.164 Fe0.16 H4 Mn1.76 O48 Si8 Y5.504 Yb0.7728 -","- Al1.84 B8 Ca3.164 Fe0.16 H4 Mn1.76 O48 Si8 Y5.504 Yb0.7728 -","","","","Miyawaki, R.; Momma, K.; Yokoyama, K.; Shigeoka, M.; Matsubara, S.; Ito, M.; Nakai, I.; Kristiansen, R.","Mn-bearing hellandite-(Y) from the Heftetjern pegmatite, Tordal, Norway","The Canadian Mineralogist","2015","53","","345","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:33",""
"9017203","15.1045","","7.1629","","9.8949","","90","","110.64","","90","","1001.84","","","","","","","","","","","","Sapucaia mine, Brazil","9","P 1 2/a 1","-P 2ya","13","","","Jahnsite-(NaMnMg)","- Al0.164 Ca0.277 Fe2.454 H18 Mg1.545 Mn0.961 Na0.569 O26 P4 -","- Al0.164 Ca0.277 Fe2.454 H18 Mg1.545 Mn0.961 Na0.569 O26 P4 -","- Al0.328 Ca0.554 Fe4.908 H36 Mg3.09 Mn1.922 Na1.138 O52 P8 -","2","0.5","","Kampf, A. R.; Elliott, P.; Nash, B. P.; Chiappino, L.; Varvello, S.","Jahnsite-(NaMnMg), a new jahnsite-group mineral from the Sapucaia mine, Brazil and the White Rock No. 2 quarry, Australia","The Canadian Mineralogist","2018","56","","871","882","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017204","15.0357","","6.9408","","9.9431","","90","","110.827","","90","","969.857","","","","","","","","","","","","Iron Monarch quarry, Iron Knob, South Australia, Australia","9","P 1 2/a 1","-P 2ya","13","","","Whiteite-(MnMnMg)","- Al1.82 Ca0.39 H16 K0.01 Mg2.08 Mn1.66 Na0.03 O26 P4 -","- Al1.82 Ca0.39 H16 K0.01 Mg2.08 Mn1.66 Na0.03 O26 P4 -","- Al3.64 Ca0.78 H32 K0.02 Mg4.16 Mn3.32 Na0.06 O52 P8 -","2","0.5","","Elliott, P.; Willis, A. C.","Whiteite-(MnMnMg), a new jahnsite-group mineral from Iron Monarch, South Australia: Description and crystal structure Note: Not all hydrogens were located","The Canadian Mineralogist","2019","57","","215","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017205","15.1559","","7.1478","","10.0209","","90","","112.059","","90","","1006.11","","","","","","","","","","","","the Malpensata pegmatite, Olgiasca, Lecco province, Italy","7","P 1 2/a 1","-P 2ya","13","","","Jahnsite-(MnMnFe)","- Ca0.25 Fe4 H18 Mn1.4 Na0.05 O26 P4 -","- Ca0.25 Fe4 H18 Mn1.4 Na0.05 O26 P4 -","- Ca0.5 Fe8 H36 Mn2.8 Na0.1 O52 P8 -","2","0.5","","Vignola, P.; Hatert, F.; Rotiroti, N.; Nestola, F.; Risplendente, A.; Vanini, F.","Jahnsite-(MnMnFe), Mn2+Mn2+Fe22+Fe23+(PO4)4(OH)2*8H2O, a new phosphate mineral from the Malpensata pegmatite, Olgiasca, Colico municipality, Lecco province, Italy","The Canadian Mineralogist","2019","57","","225","233","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017206","15.177","","7.176","","10.006","","90","","111.01","","90","","1017.31","","","","","","","","","","","","Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil","9","P 1 2/a 1","-P 2ya","13","","","Jahnsite-(MnMnMg)","- Al0.36 Ca0.25 Fe1.85 H22 Mg1.26 Mn2.02 Na0.2 O26 P4 -","- Al0.36 Ca0.25 Fe1.85 H22 Mg1.26 Mn2.02 Na0.2 O26 P4 -","- Al0.72 Ca0.5 Fe3.7 H44 Mg2.52 Mn4.04 Na0.4 O52 P8 -","2","0.5","","Vignola, P.; Hatert, F.; Baijot, M.; Rotiroti, N.; Risplendente, A.; Varvello, S.","Jahnsite-(MnMnMg), Mn2+Mn2+Mg2+2Fe3+2(PO4)4(OH)2*8H2O, a new phosphate mineral species from Sapucaia pegmatite, Sapucaia Do Norte, Galileia, Minas Gerais, Brazil","The Canadian Mineralogist","2019","57","","363","370","","","","","","","","","","","","","","","","","","","","","","has coordinates","283857","2023-05-18","09:26:09",""
"9017254","14.975","","7.1645","","9.928","","90","","110.65","","90","","996.725","","","","","","","","","","","","Tom's quarry, South Australia, Australia","9","P 1 2/a 1","-P 2ya","13","","","Jahnsite-(CaFeMg)","- Al0.01 Ca0.7 Fe3.23 H18 Mg1.33 Mn0.59 Na0.17 O26 P4 -","- Al0.01 Ca0.7 Fe3.23 H18 Mg1.33 Mn0.59 Na0.17 O26 P4 -","- Al0.02 Ca1.4 Fe6.46 H36 Mg2.66 Mn1.18 Na0.34 O52 P8 -","2","0.5","","Elliott, P.","Jahnsite-(CaFeMg), a new mineral from Tom's quarry, South Australia: description and crystal structure","European Journal of Mineralogy","2016","28","","991","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017261","13.909","","5.186","","12.159","","90","","98.88","","90","","866.541","","","","","","","","","","","","Krasno near Horni Slavkov, Czech Republic","5","P 1 2/a 1","-P 2ya","13","","","Kenngottite","- Fe3.85 H8.74 Mn3 O24.08 P4 -","- Fe3.85 H8.74 Mn3 O24.08 P4 -","- Fe7.7 H17.48 Mn6 O48.16 P8 -","2","0.5","","Sejkora, J.; Grey, I. E.; Kampf, A. R.","Kenngottite, Mn32+Fe43+(PO4)4(OH)6(H2O)2: a new phosphate mineral from Krasno near Horni Slavkov, Czech Republic Note: water and hydroxyl groups are not well located","European Journal of Mineralogy","2019","31","","629","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017673","7.0731","","9.634","","10.827","","90","","100.403","","90","","725.649","","","","","","","","","","","","Alyaskitovoje deposit, Eastern Yakutiya, Russia","6","P 1 2/a 1","-P 2ya","13","","","Arangasite","- Al2 F H18 O17 P S -","- Al4 F2 H36 O34 P2 S2 -","- Al4 F2 H36 O34 P2 S2 -","","","","Yakubovich, O. V.; Steele, I. M.; Chernyshev, V. V.; Zayakina, N. V.; Gamyanin, G. N.; Karimova, O. V.","The crystal structure of arangasite, Al2F(PO4)(SO4)*9H2O determined using low-temperature synchrotron data","Mineralogical Magazine","2014","78","","889","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:32",""