# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-16T04:50:08+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -3 1 m' AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1008002","4.99","0.001","4.99","0.001","4.622","0.001","90","","90","","120","","99.7","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","DICHROMIUM URANIUM(VI) OXIDE","","- Cr2 O6 U -","- Cr2 O6 U -","- Cr2 O6 U -","1","0.0833333","","Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C","Etude par diffractions X et neutronique d'un monocristal de U Cr~2~ O~6~ obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique","Journal of Solid State Chemistry","1976","16","","41","48","10.1016/0022-4596(76)90005-0","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008003","4.99","0.001","4.99","0.001","4.622","0.001","90","","90","","120","","99.7","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","DICHROMIUM URANIUM(VI) OXIDE","","- Cr2 O6 U -","- Cr2 O6 U -","- Cr2 O6 U -","1","0.0833333","","Collomb, A; Gondrand, M; Lehmann, M; Capponi, J J; Joubert, J C","Etude par diffractions X et neutronique d'un monocristal de Cr~2~ O~6~ U obtenu par synthese hydrothermale sous tres haute pression. Determination des structures cristallographique et magnetique","Journal of Solid State Chemistry","1976","16","","41","48","10.1016/0022-4596(76)90005-0","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008057","5.407","0.001","5.407","0.001","7.703","0.003","90","","90","","120","","195","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Barium calcium tetrairon(III) oxide","","- Ba Ca Fe4 O8 -","- Ba Ca Fe4 O8 -","- Ba Ca Fe4 O8 -","1","0.0833333","","Herrmann, D; Bacmann, M","Structure nucleaire de Ba Ca Fe~4~ O~8~","Materials Research Bulletin","1971","6","","725","736","10.1016/0025-5408(71)90106-1","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010069","16.079","","16.079","","9.841","","90","","90","","120","","2203.4","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Magnesium hexahydroxyantimonate hexahydrate","","- H24 Mg O18 Sb2 -","- H2 Mg O3.83333 Sb2 -","- H12 Mg6 O23 Sb12 -","6","0.5","","Beintema, J","On the crystal-structure of magnesium- and nickelantimonate.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1936","39","","241","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011275","16.019","","16.019","","9.768","","90","","90","","120","","2170.7","","","","","","","","","","","","synthetic","4","P -3 1 m","-P 3 2","162","","Nickel hexaaquahexoxoantimonate hexahydrate","Bottinoite","- H24 Ni O18 Sb2 -","- H2 Ni O3.83333 Sb2 -","- H12 Ni6 O23 Sb12 -","6","0.5","","Beintema, J","On the crystal-structure of magnesium- and nickelantimonate.","Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen","1936","39","","241","252","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1509541","9.7","","9.7","","8.25","","90","","90","","120","","672.246","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Ag Tl Se2","","- Ag Se2 Tl -","- Ag Se2 Tl -","- Ag6 Se12 Tl6 -","6","0.5","","Pinsker, Z.G.; Imamov, R.M.","Electron diffraction study of the compound Ag Tl Se2","Kristallografiya","1965","10","","199","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509920","5.8306","","5.8306","","6.343","","90","","90","","120","","186.746","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Ag5 (Pb1.53 Cu0.47) O6","","- Ag5 Cu0.47 O6 Pb1.53 -","- Ag5 Cu0.47 O6 Pb1.53 -","- Ag5 Cu0.47 O6 Pb1.53 -","1","0.0833333","","Gomez-Romero, P.; Oro-Sole, J.; Tejada-Rosales, E.M.","Synthesis, characterization, and electrical properties of the series of oxides Ag5 Pb(2-x) Cu(x) O6 (0.0 <= x <= 0.5)","Journal of Solid State Chemistry","2002","163","","151","157","10.1006/jssc.2001.9386","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509924","5.9405","","5.9405","","6.4349","","90","","90","","120","","196.661","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Ag5 Pb2 O6","","- Ag5 O6 Pb2 -","- Ag5 O5.97 Pb1.99 -","- Ag5 O5.97 Pb1.99 -","1","0.0833333","","Shimojo, Y.; Abe, H.; Morii, Y.; Yoshii, K.; Uruga, T.; Nakamura, A.; Ishii, Y.; Mizumaki, M.; Kato, K.","Neutron diffraction and x-ray absorption study of Ag5 Pb2 O6","Journal of Solid State Chemistry","2007","180","","377","381","10.1016/j.jssc.2006.10.025","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521301","5.316","","5.316","","9.719","","90","","90","","120","","237.86","","","","","","","","","","","","","6","P -3 1 m","-P 3 2","162","","(Cu1.78 Mg0.22) (Mg0.54 Fe0.46) Te O6 (H2 O)6","","- Cu1.78 Fe0.46 H12 Mg0.76 O12 Te -","- Cu1.78 Fe0.46 Mg0.76 O12 Te -","- Cu1.78 Fe0.46 Mg0.76 O12 Te -","1","0.0833333","","Margison, S.M.; Grice, J.D.; Groat, L.A.","The crystal structure of leisingite, (Cu(2+), Mg, Zn)2 (Mg, Fe) Te(6+) O6 . 6(H2 O)","Canadian Mineralogist","1997","35","","759","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522264","5.2916","","5.2916","","4.9987","","90","","90","","120","","121.216","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Nb2 (N0.86 O0.14)","","- N0.86 Nb2 O0.14 -","- N0.86 Nb2 O0.14 -","- N2.58 Nb6 O0.42 -","3","0.25","","Yamada, K.; Sato, N.; Masuda, H.; Fujino, T.","Synthesis and crystal structure of a new niobium oxynitride, Nb2 N0.88 O0.12","Journal of Solid State Chemistry","2000","150","","36","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","142485","2020-10-21","18:00:00",""
"1525591","6.3404","","6.3404","","9.0008","","90","","90","","120","","313.361","","","","","","","","","","","","","2","P -3 1 m","-P 3 2","162","","Yb D2.67","","- D2.67 Yb -","- D2.66667 Yb -","- D24 Yb9 -","9","0.75","","Auffermann, G.","Hochdrucksynthese und Kristallstruktur von Yb H2.67","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1615","1618","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525723","4.7743","","4.7743","","4.4063","","90","","90","","120","","86.981","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Fe3 (N0.8 C0.2)1.396","","- C0.2792 Fe3 N1.1168 -","- C0.279 Fe3 N1.117 -","- C0.558 Fe6 N2.234 -","2","0.166667","","Leineweber, A.; Huening, F.; Jacobs, H.; Kockelmann, W.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","146766","2020-10-21","18:00:00",""
"1525726","4.7644","","4.7644","","4.3906","","90","","90","","120","","86.312","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Fe3 (N0.8 C0.2)1.395","","- C0.279 Fe3 N1.116 -","- C0.279 Fe3 N1.116 -","- C0.558 Fe6 N2.232 -","2","0.166667","","Leineweber, A.; Jacobs, H.; Kockelmann, W.; Huening, F.; Lueken, H.","Nitrogen ordering and ferromagnetic properties of epsilon-(Fe3 N1+x) (0.10 < x < 0.39) and epsilon-(Fe3 (N0.80 C0.20)1.38)","Journal of Alloys Compd.","2001","316","","21","38","","","","","","","","","","","","","","","","","","","","","","has coordinates","146770","2020-10-21","18:00:00",""
"1527256","5.285","","5.285","","4.919","","90","","90","","120","","118.986","","","","","","","","","","","","","2","P -3 1 m","-P 3 2","162","","Ta N0.43","","- N0.43 Ta -","- N0.43 Ta -","- N1.29 Ta3 -","3","0.25","","Conroy, L.E.; Norlund Christensen, A.","Preparation and crystal structure of beta-Ta2 N","Journal of Solid State Chemistry","1977","20","","205","207","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528581","4.98","","4.98","","4.66","","90","","90","","120","","100.086","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Li2 (Zr F6)","","- F6 Li2 Zr -","- F6 Li2 Zr -","- F6 Li2 Zr -","1","0.0833333","","Hoppe, R.; Daehne, W.","Zur Kristallstrukutr von Li2 Zr F6","Naturwissenschaften","1960","47","","397","397","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529839","4.9634","","4.9634","","4.6172","","90","","90","","120","","98.507","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Li2 (Nb F6)","","- F6 Li2 Nb -","- F6 Li2 Nb -","- F6 Li2 Nb -","1","0.0833333","","de Bournonville, M.B.; Quarton, M.; Bizot, D.; Chassaing, J.","Structures et proprietes magnetiques de Li2 Nb F6 et Na2 Nb F6","Journal of Solid State Chemistry","1986","62","","212","219","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530091","5.3006","","5.3006","","5.3792","","90","","90","","120","","130.888","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Pb (Sb2 O6)","","- O6 Pb Sb2 -","- O6 Pb Sb2 -","- O6 Pb Sb2 -","1","0.0833333","","Hill, R.J.","Structure of Pb Sb2 O6 and its relationship to the crystal chemistry of Pb O2 in antimonial lead-acid batteries","Journal of Solid State Chemistry","1987","71","","12","18","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530752","7.26","","7.26","","4.79","","90","","90","","120","","218.645","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Co I2 (H2 O)6","","- Co H12 I2 O6 -","- Co I2 O6 -","- Co I2 O6 -","1","0.0833333","","Shchukarev, S.A.; Stroganov, E.V.; Andreev, S.N.; Purvinskij, O.F.","Investigation of crystal structure of crystallohydrates of transition metal salts. structure Co I26 (H2 O)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1963","4","","63","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531414","4.9281","","4.9281","","4.4774","","90","","90","","120","","94.171","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","(Cr0.78 Re0.22)2 C0.86","","- C0.86 Cr1.56 Re0.44 -","- C0.863333 Cr1.56 Re0.44 -","- C2.59 Cr4.68 Re1.32 -","3","0.25","","Grytsiv, A.V.; Rogl, P.; Andre, G.; Bouree, F.; Velikanova, T.","Carbon - vacancy ordering in subcarbide (Cr0.7 Re0.3)2 C0.9; a combined X-ray and neutron diffraction study","Journal of Alloys Compd.","2003","350","","L1","L3","","","","","","","","","","","","","","","","","","","","","","has coordinates","156880","2020-10-21","18:00:00",""
"1531882","6.3124","","6.3124","","5.932","","90","","90","","120","","204.701","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Y2 C D2.55","","- C D2.55 Y2 -","- C D2.544 Y2 -","- C3 D7.632 Y6 -","3","0.25","","Maehlen, J.P.; Hauback, B.C.; Yartys', V.A.","Structural studies of deuterides of yttrium carbide","Journal of Alloys Compd.","2003","351","","151","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532173","6.0748","","6.0748","","6.5954","","90","","90","","120","","210.783","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- Li3.333 Mg0.333 P2 S6 -","- Li3.3332 Mg0.3334 P2 S6 -","- Li3.3332 Mg0.3334 P2 S6 -","1","0.0833333","","Takada, K.; Kondo, S.; Inada, T.; Kajiyama, A.; Sasaki, H.; Kanda, M.; Watanabe, M.","Lithium ion conduction in lithium magnesium thio-phosphate","Solid State Ionics","2002","147","","23","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532176","6.0831","","6.0831","","6.5863","","90","","90","","120","","211.068","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- Li2.667 Mg0.667 P2 S6 -","- Li2.6668 Mg0.6666 P2 S6 -","- Li2.6668 Mg0.6666 P2 S6 -","1","0.0833333","","Takada, K.; Watanabe, M.; Inada, T.; Kajiyama, A.; Kanda, M.; Sasaki, H.; Kondo, S.","Lithium ion conduction in lithium magnesium thio-phosphate","Solid State Ionics","2002","147","","23","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532605","5.9415","","5.9415","","6.4289","","90","","90","","120","","196.544","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Ag4.64 Pb2 O5.87","","- Ag4.64 O5.87 Pb2 -","- Ag4.64 O5.868 Pb2 -","- Ag4.64 O5.868 Pb2 -","1","0.0833333","","Iwasaki, K.; Yamane, H.; Kubota, S.; Takahashi, J.; Yamashita, T.; Kajitani, T.; Nakajima, K.; Miyazaki, Y.; Shimada, M.","Synthesis and characterization of Ag5-x Pb2 O6-d","Physica C (Amsterdam)","2002","382","","263","268","","","","","","","","","","","","","","","","","","","","","","has coordinates","158546","2020-10-21","18:00:00",""
"1533510","6.0145","","6.0145","","6.56","","90","","90","","120","","205.51","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Li2 Fe (P2 S6)","","- Fe Li2 P2 S6 -","- Fe Li2 P2 S6 -","- Fe Li2 P2 S6 -","1","0.0833333","","Takada, K.; Michiue, Y.; Inada, T.; Kajiyama, A.; Tabuchi, M.; Kouguchi, M.; Watanabe, M.; Kondo, S.","Lithium iron thio-phosphate: a new 3 V sulfide cathode","Solid State Ionics","2003","159","","257","263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535603","10.3776","","10.3776","","10.4322","","90","","90","","120","","972.972","","","","","","","","","","","","","6","P -3 1 m","-P 3 2","162","","(Zn (N H3)4)2 (Te8 (Re (C N))6)","","- C6 H24 N14 Re6 Te8 Zn2 -","- C6 N14 Re6 Te8 Zn2 -","- C6 N14 Re6 Te8 Zn2 -","1","0.0833333","","Brylev, K.A.; Naumov, N.G.; Sekar, P.; Fedorov, V.E.; Ibers, J.A.","Reactions of transition-metal cations with (Re6 Te8 (C N)6)(4-) : syntheses and structures of (Zn (N H3)4)2 (Re6 Te8 (C N)6), ((Co (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O) and ((Ni (N H3)5)2 Re6 Te8 (C N)6) * 4(H2 O)","Inorganica Chimica Acta","2004","357","","728","732","","","","","","","","","","","","","","","","","","","","","","has coordinates","163024","2020-10-21","18:00:00",""
"1536777","5.047","","5.047","","4.73","","90","","90","","120","","104.342","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Al (O H)3","","- Al H3 O3 -","- Al O3 -","- Al2 O6 -","2","0.166667","","Yamaguchi, Goro; Sakamoto, Kenichi","Crystal structure of bayerite","Bulletin of the Chemical Society of Japan","1958","31","1","140","141","10.1246/bcsj.31.140","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539792","5.19","","5.19","","4.724","","90","","90","","120","","110.198","","","","","","","","","","","","","2","P -3 1 m","-P 3 2","162","","W2 C","","- C W2 -","- C W2 -","- C3 W6 -","3","0.25","","Epicier, T.; Dubois, J.; Esnouf, C.; Convert, P.; Fantozzi, G.","Neutron powder diffraction studies of transition metal hemicarbides M2 C1-x - II. In situ high temperature study on W2 C1-x and Mo2 C1-x","Acta Metallurgica","1988","36","","1903","1921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544371","4.79","0.003","4.79","0.003","4.344","0.003","90","","90","","120","","86.32","0.1","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","Mg1.24Si1.76H2.48O6 phase G (D)","","phase D","- H2.48 Mg1.24 O6 Si1.76 -","- Mg1.24 O6 Si1.76 -","- Mg1.24 O6 Si1.76 -","1","0.0833333","","Kudoh, Y.; Nagase, T.; Mizohata, H.; Ohtani, E.; Sasaki, S.; Tanaka, M.","Structure and crystal chemistry of phase G, a new hydrous magnesium silicate synthesized at 22 GPa and 1050 C","Geophysical Research Letters","1997","24","","1051","1054","","","","","","","","","","","","","","","","","","","","","","has coordinates","187619","2020-10-21","18:00:00",""
"1544621","5.0756","0.0001","5.0756","0.0001","6.5969","0.0002","90","","90","","120","","147.179","0.006","","","","","","","","","","","","5","P -3 1 m","-P 3 2","162","K1.93(Mg2.02Cr0.02)Si2O7","","anhydrous phase X","- Cr0.02 K1.93 Mg2.02 O7 Si2 -","- K2 Mg2 O7 Si2 -","- K2 Mg2 O7 Si2 -","1","0.0833333","","Matsuzaki, T.; Hagiya, K.; Shatskiy, A.; Katsura, T.; Matsui, M.","Crystal structure of anhydrous phase X, K1.93(Mg2.02Cr0.02)Si2.00O7","Journal of Mineralogical and Petrological Sciences","2010","105","","303","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","188565","2020-10-21","18:00:00",""
"1544910","5.5406","0.0006","5.5406","0.0006","5.34","0.001","90","","90","","120","","141.97","0.03","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","SrBi2O6","","SrBi2O6","- Bi2 O6 Sr -","- Bi2 O6 Sr -","- Bi2 O6 Sr -","1","0.0833333","","Kumada, N.; Miura, A.; Takei, T.; Yashima, M.","Crystal structures of a pentavalent bismuthate, SrBi2O6 and a lead bismuth oxide (Pb1/3Bi2/3)O1.4","Journal of Asian Ceramic Societies","2014","2","","150","153","","","","","","","","","","","","","","","","","","","","","","has coordinates","189474","2020-10-21","18:00:00",""
"1563050","7.478","0.001","7.478","0.001","7.015","0.001","90","","90","","120","","339.73","0.08","295","2","295","2","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- Cu1.74 Gd0.75 Te2 -","- Cu1.74 Gd0.753333 Te2 -","- Cu5.22 Gd2.26 Te6 -","3","0.25","","Gulay, L.D.; Daszkiewicz, M.; Shemet, V.Ya.","Crystal structure of ∼RCu3S3 and ∼RCuTe2 (R=Gd‒Lu) compounds","Journal of Solid State Chemistry","2012","186","","142","148","10.1016/j.jssc.2011.12.004","","","0.71073","MoKα","","0.0415","0.0401","","","0.1004","0.1016","","","","","","1.223","","","","has coordinates","265653","2021-06-01","09:44:10",""
"1564221","9.3911","0.0008","9.3911","0.0008","8.6576","0.0009","90","","90","","120","","661.24","0.11","123","2","123","2","","","","","","","","5","P -3 1 m","-P 3 2","162","","Hexaaquadodeca-μ~2~-chlorido-<i>octahedro</i>-hexaniobium diiodide","","- Cl12 H12 I2 Nb6 O6 -","- Cl12 H12 I2 Nb6 O6 -","- Cl12 H12 I2 Nb6 O6 -","1","0.0833333","BT4115","Schröder, Florian; Köckerling, Martin","Hexaaquadodeca-μ2-chlorido-octahedro-hexaniobium diiodide","IUCrData","2021","6","7","","","10.1107/S2414314621006969","","","0.71073","MoKα","","0.0131","0.013","","","0.0335","0.0335","","","","","","1.376","","","","has coordinates,has Fobs","267672","2021-07-21","05:40:18",""
"1570620","26.659","0.001","26.659","0.001","10.103","0.0004","90","","90","","120","","6218.3","0.4","298","2","298","2","","","","","","","","4","P -3 1 m","-P 3 2","162","Zr-BPT","","","- C60.33 H36.33 O64.66 Zr12 -","- C60.33 H36.33 O64.66 Zr12 -","- C120.66 H72.66 O129.32 Zr24 -","2","0.166667","","Shiraishi, Kyoko; Otsubo, Kazuya; Kato, Kenichi; Sadakiyo, Masaaki","A novel threefold interpenetrated zirconium metal-organic framework exhibiting separation ability for strong acids.","Chemical science","2024","15","4","1441","1448","10.1039/d3sc04171a","powder diffraction","","0.8001","synchrotronradiation","","0.02075","","","","","","0.02075","0.04695","2.8194","","","","","","","has coordinates","289411","2024-02-04","11:30:42",""
"2009656","5.2405","0.0004","5.2405","0.0004","5.0221","0.0004","90","","90","","120","","119.443","0.016","294","","","","","","","","","","","3","P -3 1 m","-P 3 2","","","","","- Ca O6 Sb2 -","- Ca O6 Sb2 -","- Ca O6 Sb2 -","1","0.0833333","ST1071","DeBoer, B.G.; Young, R.A.; Sakthivel, A.","X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates","Acta Crystallographica Section C","1994","50","4","476","482","10.1107/S0108270193008480","","","","CuKα~1,2~","","","0.0444","","","0.17","","","","","1.78","1.78","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009657","5.2724","0.0004","5.2724","0.0004","5.3659","0.0004","90","","90","","120","","129.178","0.017","294","","","","","","","","","","","3","P -3 1 m","-P 3 2","","","","","- O6 Sb2 Sr -","- O6 Sb2 Sr -","- O6 Sb2 Sr -","1","0.0833333","ST1071","DeBoer, B.G.; Young, R.A.; Sakthivel, A.","X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates","Acta Crystallographica Section C","1994","50","4","476","482","10.1107/S0108270193008480","","","","CuKα~1,2~","","","0.0453","","","0.211","","","","","1.37","1.37","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2009658","5.3036","0.0004","5.3036","0.0004","5.7602","0.0004","90","","90","","120","","140.317","0.018","294","","","","","","","","","","","3","P -3 1 m","-P 3 2","","","","","- Ba O6 Sb2 -","- Ba O6 Sb2 -","- Ba O6 Sb2 -","1","0.0833333","ST1071","DeBoer, B.G.; Young, R.A.; Sakthivel, A.","X-ray Rietveld structure refinement of Ca, Sr and Ba <i>meta</i>-antimonates","Acta Crystallographica Section C","1994","50","4","476","482","10.1107/S0108270193008480","","","","CuKα~1,2~","","","0.0501","","","0.229","","","","","1.36","1.36","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2020338","7.0509","","7.0509","","8.5766","","90","","90","","120","","369.262","","","","","","","","","","","","","5","P -3 1 m","-P 3 2","162","","K2 Na (Ag (C N)2)3","","- C6 Ag3 K2 N6 Na -","- C6 Ag3 K2 N6 Na -","- C6 Ag3 K2 N6 Na -","1","0.0833333","","Zabel, M.; Kuehnel, S.; Range, K.J.","Dipotassium sodium tris(dicyanoargentate(I))","Acta Crystallographica C (39,1983-)","1989","45","","1619","1621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2105398","6.18","","6.18","","11.122","","90","","90","","120","","367.867","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Au7 P10 I","","- Au7 I P10 -","- Au7 I P10 -","- Au7 I P10 -","1","0.0833333","","Jeitschko, W.; Moeller, M.H.","The crystal structures of Au P3 and Au7 P10 I, polyphosphides with weak Au-Au interactions","Acta Crystallographica B (24,1968-38,1982)","1979","35","","573","579","10.1107/S0567740879004180","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106518","5.45","","5.45","","8.101","","90","","90","","120","","208.383","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Ba Sr (Fe4 O8)","","- Ba Fe4 O8 Sr -","- Ba Fe4 O8 Sr -","- Ba Fe4 O8 Sr -","1","0.0833333","","Herman-Ronzaud, D.; Bachmann, M.","La structure cristalline de Ba Sr Fe4 O8","Acta Crystallographica B (24,1968-38,1982)","1975","31","","665","668","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106662","5.446","","5.446","","8.082","","90","","90","","120","","207.589","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Ba Sr Fe4 O8","","- Ba Fe4 O8 Sr -","- Ba Fe4 O8 Sr -","- Ba Fe4 O8 Sr -","1","0.0833333","","Cadee, M.C.","The crystal structure of hexagonal Ba Sr Fe4 O8","Acta Crystallographica B (24,1968-38,1982)","1975","31","","2012","2015","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106851","4.9733","","4.9733","","4.658","","90","","90","","120","","99.774","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Li2 Zr F6","","- F6 Li2 Zr -","- F6 Li2 Zr -","- F6 Li2 Zr -","1","0.0833333","","Brunton, G.","Li2 Zr F6","Acta Crystallographica B (24,1968-38,1982)","1973","29","","2294","2296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106875","5.4123","","5.4123","","8.0675","","90","","90","","120","","204.66","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Ba Sr Fe4 O8","","- Ba Fe4 O8 Sr -","- Ba Fe4 O8 Sr -","- Ba Fe4 O8 Sr -","1","0.0833333","","Abbas, Y.; Mostafa, F.; Fayek, M.","Antiferromagnetic Structure of Barium Strontium Tetraferrate(III), Ba Sr Fe4 O8","Acta Crystallographica B (39,1983-)","1983","39","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107169","6.64","","6.64","","39.75","","90","","90","","120","","1517.76","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- Na35 S6 Sn2 -","- Na35 S6 Sn2 -","- Na35 S6 Sn2 -","1","0.0833333","","Mark, W.; Lindqvist, O.; Jumas, J.C.; Philippot, E.","The OD structure of Na2 Sn S3. Determination and refinement of an MDO structure","Acta Crystallographica B (24,1968-38,1982)","1974","30","","2620","2628","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107397","6.545","","6.545","","11.69","","90","","90","","120","","433.675","","","","","","","","","","","","","5","P -3 1 m","-P 3 2","162","","H3.5 (Fe0.5 Fe0.5 (C N)6) H2 O","","- C6 H5.5 Fe N6 O -","- C6 Fe N6 O1.0002 -","- C12 Fe2 N12 O2.0004 -","2","0.166667","","Haser, R.; Pierrot, M.","Etude structurale de la serie des hexacyanoferrates (II,III) d'hydrogene: H3+x (Fe(II)x Fe1-X(III) (C N)6) (H2 O)y. La phase hexagonale 2H: H3.5 (Fe(II)0.5 Fe(III)0.5 (C N)6) H2 O:L'ion hydronium (H...","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2538","2542","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107422","6.513","","6.513","","5.78","","90","","90","","120","","212.335","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","H3 (Fe (C N)6)","","- C6 H3 Fe N6 -","- C6 H3 Fe N6 -","- C6 H3 Fe N6 -","1","0.0833333","","Haser, R.; Pierrot, M.; de Broin, C.E.","Etude structurale de la serie des hexacyanoferrates(II,III) d'hydrogene: H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. I. Struct. cristall. des phases hexagonales H, H3 Fe(III) (C N)6 et H3 Co(III) (C N)6, par diffr.","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2530","2537","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107423","6.432","","6.432","","5.701","","90","","90","","120","","204.255","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","H3 Co (C N)6","","- C6 H3 Co N6 -","- C6 H3 Co N6 -","- C6 H3 Co N6 -","1","0.0833333","","Haser, R.; Pierrot, M.; de Broin, C.E.","Etude structurale de la serie des hexacyanoferrates(II,III) d'hydrogene: H3+x (Fe(II)x Fe(III)1-x (C N)6)(H2 O)y. I. Struct. cristall. des phases hexagonales H, H3 Fe(III) (C N)6 et H3 Co(III) (C N)6, par diffr.","Acta Crystallographica B (24,1968-38,1982)","1972","28","","2530","2537","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2200091","4.8269","0.001","4.8269","0.001","4.866","0.001","90","","90","","120","","98.18","0.04","293","2","293","2","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- As2 Cd O6 -","- As2 Cd O6 -","- As2 Cd O6 -","1","0.0833333","","Matthias Weil","Cadmium(II) metaarsenate(V), CdAs~2~O~6~","Acta Crystallographica, Section E","2001","57","","i22","i23","10.1107/S1600536801003865","","","","","","","","","","","","","","","","","","","","","has coordinates","176774","2020-10-21","18:00:00",""
"4004050","13.5717","0.0018","13.5717","0.0018","9.9759","0.0018","90","","90","","120","","1591.3","0.4","250","2","250","","","","","","","","","6","P -3 1 m","-P 3 2","162","2","","","- C14 H24 Cl2 Fe2 N2 O4 -","- C8.66667 H8.0004 Cl2 Fe0.666667 N0.666667 O4 -","- C26 H24.0012 Cl6 Fe2 N2 O12 -","3","0.25","","Wang, Yiran; Ziebel, Michael E.; Sun, Lei; Gish, J. Tyler; Pearson, Tyler J.; Lu, Xue-Zeng; Thorarinsdottir, Agnes E.; Hersam, Mark C.; Long, Jeffrey R.; Freedman, Danna E.; Rondinelli, James M.; Puggioni, Danilo; Harris, T. David","Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order","Chemistry of Materials","2021","33","22","8712","8721","10.1021/acs.chemmater.1c02670","","","1.54178","CuKα","","0.1294","0.1011","","","0.2595","0.2916","","","","","","1.09","","","","has coordinates,has disorder","271063","2021-12-03","23:11:44",""
"4124085","6.7172","","6.7172","","7.5196","","90","","90","","120","","293.834","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Ag3 (Fe (C N)6)","","- C6 Ag3 Fe N6 -","- C6 Ag3 Fe N6 -","- C6 Ag3 Fe N6 -","1","0.0833333","","Goodwin, A.L.; Keen, D.A.; Dove, M.T.; Tucker, M.G.; Peters, L.; Evans, J.S.O.","Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues","Journal of the American Chemical Society","2008","130","","9660","9661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124086","6.41294","","6.41294","","5.71973","","90","","90","","120","","203.714","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","D3 (Co (C N)6)","","- C6 Co D3 N6 -","- C6 Co D3 N6 -","- C6 Co D3 N6 -","1","0.0833333","","Goodwin, A.L.; Dove, M.T.; Tucker, M.G.; Keen, D.A.; Evans, J.S.O.; Peters, L.","Argentophilicity-dependent colossal thermal expansion in extended Prussian blue analogues","Journal of the American Chemical Society","2008","130","","9660","9661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4129762","13.5632","0.0005","13.5632","0.0005","8.7449","0.0005","90","","90","","120","","1393.19","0.11","100","2","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C40 H62 Cl6 Fe2 N8 O20 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O13.9998 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O13.9998 -","1","0.0833333","","Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David","A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.","Journal of the American Chemical Society","2015","137","50","15699","15702","10.1021/jacs.5b10382","","","1.54178","CuKα","","0.1072","0.0954","","","0.2481","0.2651","","","","","","1.173","","","","has coordinates","240420","2020-10-21","18:00:00",""
"4129763","13.6682","0.0006","13.6682","0.0006","8.887","0.0005","90","","90","","120","","1437.83","0.12","100","2","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C40 H62 Cl6 N8 O20 Zn2 -","- C21.9996 H15.9984 Cl6 N1.9998 O13.9998 Zn2 -","- C21.9996 H15.9984 Cl6 N1.9998 O13.9998 Zn2 -","1","0.0833333","","Jeon, Ie-Rang; Negru, Bogdan; Van Duyne, Richard P.; Harris, T. David","A 2D Semiquinone Radical-Containing Microporous Magnet with Solvent-Induced Switching from Tc = 26 to 80 K.","Journal of the American Chemical Society","2015","137","50","15699","15702","10.1021/jacs.5b10382","","","1.54178","CuKα","","0.0983","0.0939","","","0.2327","0.2469","","","","","","1.142","","","","has coordinates","240420","2020-10-21","18:00:00",""
"4131227","13.5835","0.0011","13.5835","0.0011","8.6796","0.0013","90","","90","","120","","1386.9","0.3","100","","99.99","","","","","","","","","6","P -3 1 m","-P 3 2","162","","(Cp2Co)(Me2NH2)[Fe2(CA)3]","","- C11 H8 Cl3 Fe N O6 -","- C10.9998 H7.9992 Cl3 Fe N0.9999 O6 -","- C21.9996 H15.9984 Cl6 Fe2 N1.9998 O12 -","2","0.166667","","DeGayner, Jordan A.; Jeon, Ie-Rang; Sun, Lei; Dincă, Mircea; Harris, T. David","2D Conductive Iron-Quinoid Magnets Ordering up to T<sub>c</sub> = 105 K via Heterogenous Redox Chemistry.","Journal of the American Chemical Society","2017","139","11","4175","4184","10.1021/jacs.7b00705","","","1.54178","CuKα","","0.1602","0.1222","","","0.2762","0.3189","","","","","","1.105","","","","has coordinates","241482","2020-10-21","18:00:00",""
"4132814","14.0315","0.0012","14.0315","0.0012","10.2484","0.0017","90","","90","","120","","1747.4","0.4","100","2","99.98","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C34 H40 Cl6 Mn2 N2 O12 -","- C33.9984 H39.996 Cl6 Mn2 N2 O12 -","- C33.9984 H39.996 Cl6 Mn2 N2 O12 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.079","0.068","","","0.1909","0.1963","","","","","","1.114","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132815","13.657","0.0011","13.657","0.0011","9.7446","0.001","90","","90","","120","","1574","0.2","100","2","99.96","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C36 H42 Cl6 Co3 N6 O18 -","- C36 H42 Cl6 Co3 N6 O18 -","- C36 H42 Cl6 Co3 N6 O18 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1506","0.1093","","","0.347","0.3778","","","","","","1.371","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132816","13.729","0.002","13.729","0.002","9.58","0.004","90","","90","","120","","1563.8","0.7","100","2","100.01","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C36 H42 Cl6 N6 O18 Zn3 -","- C36 H42 Cl6 N6 O18 Zn3 -","- C36 H42 Cl6 N6 O18 Zn3 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1695","0.1393","","","0.4038","0.4215","","","","","","1.711","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4132817","13.7048","0.0007","13.7048","0.0007","10.1772","0.001","90","","90","","120","","1655.4","0.2","100","2","99.96","","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C34 H40 Cl6 Co2 N2 O12 -","- C33.9984 H39.996 Cl6 Co2 N2 O12 -","- C33.9984 H39.996 Cl6 Co2 N2 O12 -","1","0.0833333","","Liu, Lujia; Li, Liang; DeGayner, Jordan A.; Winegar, Peter H.; Fang, Yu; Harris, T. David","Harnessing Structural Dynamics in a 2D Manganese-Benzoquinoid Framework To Dramatically Accelerate Metal Transport in Diffusion-Limited Metal Exchange Reactions.","Journal of the American Chemical Society","2018","140","36","11444","11453","10.1021/jacs.8b06774","","","0.71073","MoKα","","0.1047","0.0789","","","0.2526","0.2723","","","","","","1.14","","","","has coordinates,has disorder","242715","2020-10-21","18:00:00",""
"4301937","9.3223","0.0009","9.3223","0.0009","8.4528","0.0008","90","","90","","120","","636.18","0.11","293","2","293","2","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- Cl18 K2 W6 -","- Cl18 K2 W6 -","- Cl18 K2 W6 -","1","0.0833333","","Sonja Tragl; Markus Ströbele; Jochen Glaser; Cristian Vicent; Rosa Llusar; H.-Jürgen Meyer","Compounds with the Electron-Rich [W6Cl18]2- Cluster Anion","Inorganic Chemistry","2009","48","","3825","3831","10.1021/ic8019843","","","0.71073","MoKα","","0.0288","0.0223","","","0.0478","0.0495","","","","","","1.037","","","","has coordinates","179057","2020-10-21","18:00:00",""
"4311894","4.81103","0.00004","4.81103","0.00004","4.47738","0.00005","90","","90","","120","","89.7492","0.0015","","","","","","","","","","","","2","P -3 1 m","-P 3 2","162","","","","- Cr2 N -","- Cr2 N -","- Cr6 N3 -","3","0.25","","Jordi Cabana; Christopher D. Ling; Judith Oró-Solé; Damien Gautier; Gerard Tobías; Stefan Adams; Enric Canadell; M. Rosa Palacín","Antifluorite-Type Lithium Chromium Oxide Nitrides: Synthesis, Structure, Order, and Electrochemical Properties","Inorganic Chemistry","2004","43","","7050","7060","10.1021/ic049138z","powder diffraction","neutron","2.41782","ConstantWavelengthNeutronDiffraction","","","","","","","","","16.4675","","","","","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4324909","16.4336","","16.4336","","22.2284","","90","","90","","120","","5198.81","","293","","293","","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- Cu6.626 Ge Si -","- Cu6.66667 Ge Si -","- Cu320 Ge48 Si48 -","48","4","","Lukáš Palatinus; Mariana Klementová; Vladislav Dřínek; Markéta Jarošová; Václav Petříček","An Incommensurately Modulated Structure of η'-Phase of Cu3+xSi Determined by Quantitative Electron Diffraction Tomography","Inorganic Chemistry","2011","50","","3743","3751","10.1021/ic200102z","","","0.0335","electrons","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176432","2020-10-21","18:00:00",""
"4331655","4.9748","0.0007","4.9748","0.0007","4.6449","0.0009","90","","90","","120","","99.55","0.03","293","2","293","2","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- F6 Hf Li2 -","- F6 Hf Li2 -","- F6 Hf Li2 -","1","0.0833333","","Christopher C. Underwood; Colin D. McMillen; Hongyu Chen; Jeffery N. Anker; Joseph W. Kolis","Hydrothermal Chemistry, Structures, and Luminescence Studies of Alkali Hafnium Fluorides","Inorganic Chemistry","2013","52","","237","244","10.1021/ic301760a","","","0.71073","MoKα","","0.0319","0.0319","","","0.077","0.077","","","","","","1.215","","","","has coordinates","179419","2020-10-21","18:00:00",""
"4335884","13.7999","0.0005","13.7999","0.0005","9.2118","0.0006","90","","90","","120","","1519.24","0.13","120","2","120","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C60 H41 Br6 Cr Mn N6 O16 -","- C61.94 H29.04 Br6 Cr Mn N6 O17.06 -","- C61.94 H29.04 Br6 Cr Mn N6 O17.06 -","1","0.0833333","","Matteo Atzori; Samia Benmansour; Guillermo Mínguez Espallargas; Miguel Clemente-León; Alexandre Abhervé; Patricia Gómez-Claramunt; Eugenio Coronado; Flavia Artizzu; Elisa Sessini; Paola Deplano; Angela Serpe; Maria Laura Mercuri; Carlos J. Gómez García","A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures","Inorganic Chemistry","2013","52","","10031","10040","10.1021/ic4013284","","","0.71073","MoKα","","0.1542","0.1352","","","0.3034","0.3272","","","","","","1.24","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4335885","13.9147","0.0002","13.9147","0.0002","9.1747","0.0004","90","","90","","120","","1538.4","0.07","120","2","120","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C54 H29 Br6 Fe Mn N6 O14 -","- C54 H28.98 Br6 Fe Mn N6 O14 -","- C54 H28.98 Br6 Fe Mn N6 O14 -","1","0.0833333","","Matteo Atzori; Samia Benmansour; Guillermo Mínguez Espallargas; Miguel Clemente-León; Alexandre Abhervé; Patricia Gómez-Claramunt; Eugenio Coronado; Flavia Artizzu; Elisa Sessini; Paola Deplano; Angela Serpe; Maria Laura Mercuri; Carlos J. Gómez García","A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures","Inorganic Chemistry","2013","52","","10031","10040","10.1021/ic4013284","","","0.71073","MoKα","","0.0673","0.0557","","","0.2048","0.2157","","","","","","1.153","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4341187","5.22","0.003","5.22","0.003","5.705","0.005","90","","90","","120","","134.63","0.16","100","2","100","2","","","","","","","","4","P -3 1 m","-P 3 2","162","Sodium Nickel Bismuth","","","- Bi Na Ni2 O5.66 -","- Bi0.999 Na Ni2 O5.64 -","- Bi0.999 Na Ni2 O5.64 -","1","0.0833333","","Seibel, Elizabeth M.; Roudebush, John H.; Ali, Mazhar N.; Ross, K. A.; Cava, R. J.","Structure and Magnetic Properties of the Spin-1/2-Based Honeycomb NaNi2BiO6-δ and Its Hydrate NaNi2BiO6-δ·1.7H2O.","Inorganic chemistry","2014","53","20","10989","10995","10.1021/ic501390r","","","0.71073","MoKα","","0.0229","0.0229","","0.0505","","0.0503","","","1.108","","","1.108","","","","has coordinates","179514","2020-10-21","18:00:00",""
"4341552","5.3812","0.0003","5.3812","0.0003","9.8195","0.0007","90","","90","","120","","246.25","0.03","298","2","298","2","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- H6 Li O6 Sb -","- H3 Li O6 Sb -","- H6 Li2 O12 Sb2 -","2","0.166667","","Mizoguchi, Hiroshi; Bhuvanesh, Nattamai S. P.; Kim, Young-Il; Ohara, Satoshi; Woodward, Patrick M.","Hydrothermal Crystal Growth and Structure Determination of Double Hydroxides LiSb(OH)6, BaSn(OH)6, and SrSn(OH)6.","Inorganic chemistry","2014","53","19","10570","10577","10.1021/ic5016252","","","0.71073","MoKα","","0.0271","0.0243","","","0.0462","0.0473","","","","","","1.173","","","","has coordinates","179518","2020-10-21","18:00:00",""
"4342220","5.20649","0.00009","5.20649","","4.66276","0.00015","90","","90","","120","","109.462","0.004","298","","298","","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- Mn O6 Sb2 -","- Mn O6 Sb2 -","- Mn O6 Sb2 -","1","0.0833333","","Nalbandyan, Vladimir B.; Zvereva, Elena A.; Nikulin, Alexey Yu; Shukaev, Igor L.; Whangbo, Myung-Hwan; Koo, Hyun-Joo; Abdel-Hafiez, Mahmoud; Chen, Xiao-Jia; Koo, Changhyun; Vasiliev, Alexander N.; Klingeler, Rüdiger","New Phase of MnSb2O6 Prepared by Ion Exchange: Structural, Magnetic, and Thermodynamic Properties.","Inorganic chemistry","2015","54","4","1705","1711","10.1021/ic502666c","powder diffraction","x-ray","1.54056","CuKa","","","","","","","","0.01948","","1.79","","","","","","","has coordinates","179525","2020-10-21","18:00:00",""
"4344200","9.36","","9.36","","8.8","","90","","90","","120","","667.675","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","Ta6 Cl14 (H2 O)7","","- Cl14 H14 O7 Ta6 -","- Cl14.001 O6.996 Ta6 -","- Cl14.001 O6.996 Ta6 -","1","0.0833333","","Burbank, R.D.","Crystallographic Evidence for Nonequivalent Ligand Fields in Tantalum Subchloride","Inorganic Chemistry","1966","5","","1491","1498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4347824","13.10659","0.00025","13.10659","0.00025","8.77013","0.00024","90","","90","","120","","1304.72","0.05","300","","300","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","CAU-20","- C13.49 Al N1.5 O7.5 -","- C13.491 Al N1.497 O7.497 -","- C26.982 Al2 N2.994 O14.994 -","2","0.166667","","Halis, Selda; Inge, A. Ken; Dehning, Niklas; Weyrich, Thomas; Reinsch, Helge; Stock, Norbert","Dihydroxybenzoquinone as Linker for the Synthesis of Permanently Porous Aluminum Metal-Organic Frameworks.","Inorganic chemistry","2016","55","15","7425","7431","10.1021/acs.inorgchem.6b00661","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","232524","2020-10-21","18:00:00",""
"4514580","12.157","0.005","12.157","0.005","10.457","0.005","90","","90","","120","","1338.4","1","293","2","293","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C12 H17 Ag5 Mo12 N18 O40 Si -","- C12 H12 Ag4.92 Mo12 N18 O40 Si -","- C12 H12 Ag4.92 Mo12 N18 O40 Si -","1","0.0833333","","Hou, Yan; Chai, Dongfeng; Li, Bonan; Pang, Haijun; Ma, Huiyuan; Wang, Xinming; Tan, Lichao","Polyoxometalate-Incorporated Metallacalixarene@Graphene Composite Electrodes for High-Performance Supercapacitors.","ACS applied materials & interfaces","2019","11","23","20845","20853","10.1021/acsami.9b04649","","","0.71069","MoKα","","0.0887","0.0789","","","0.1763","0.1826","","","","","","1.04","","","","has coordinates","219764","2020-10-21","18:00:00",""
"4514581","12.1796","0.0007","12.1796","0.0007","10.4736","0.0008","90","","90","","120","","1345.53","0.15","293","2","293","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C12 H17 Ag5 N18 O40 Si W12 -","- C12 H12 Ag4.92 N18 O40 Si W12 -","- C12 H12 Ag4.92 N18 O40 Si W12 -","1","0.0833333","","Hou, Yan; Chai, Dongfeng; Li, Bonan; Pang, Haijun; Ma, Huiyuan; Wang, Xinming; Tan, Lichao","Polyoxometalate-Incorporated Metallacalixarene@Graphene Composite Electrodes for High-Performance Supercapacitors.","ACS applied materials & interfaces","2019","11","23","20845","20853","10.1021/acsami.9b04649","","","0.71","MoKα","","0.0489","0.0374","","","0.0906","0.0977","","","","","","1.06","","","","has coordinates","219765","2020-10-21","18:00:00",""
"4516647","13.7841","0.0003","13.7841","0.0003","9.2424","0.0003","90","","90","","120","","1520.8","0.07","120","2","120","2","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C54 H24 Br6 Fe2 N6 O26 -","- C54 H24 Br6 Fe2 N6 O26 -","- C54 H24 Br6 Fe2 N6 O26 -","1","0.0833333","","Benmansour, Samia; Abhervé, Alexandre; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Gómez-García, Carlos J","Nanosheets of Two-Dimensional Magnetic and Conducting Fe(II)/Fe(III) Mixed-Valence Metal-Organic Frameworks.","ACS applied materials & interfaces","2017","9","31","26210","26218","10.1021/acsami.7b08322","","","0.71073","MoKα","","0.0555","0.0481","","","0.1378","0.1433","","","","","","1.071","","","","has coordinates,has disorder","239424","2020-10-21","18:00:00",""
"4516648","13.6909","0.0003","13.6909","0.0003","9.1968","0.0003","90","","90","","120","","1492.9","0.07","120","2","120","2","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C54 H24 Cl6 Fe2 N6 O26 -","- C54 H24 Cl6 Fe2 N6 O26 -","- C54 H24 Cl6 Fe2 N6 O26 -","1","0.0833333","","Benmansour, Samia; Abhervé, Alexandre; Gómez-Claramunt, Patricia; Vallés-García, Cristina; Gómez-García, Carlos J","Nanosheets of Two-Dimensional Magnetic and Conducting Fe(II)/Fe(III) Mixed-Valence Metal-Organic Frameworks.","ACS applied materials & interfaces","2017","9","31","26210","26218","10.1021/acsami.7b08322","","","0.71073","MoKα","","0.0497","0.0381","","","0.1034","0.1107","","","","","","1.093","","","","has coordinates","239425","2020-10-21","18:00:00",""
"4519349","5.1098","0.0002","5.1098","0.0002","7.1704","0.0003","90","","90","","120","","162.137","0.011","398","","398","","","","","","","","Layered Double Hydroxide","4","P -3 1 m","-P 3 2","162","Lithium Aluminium Chloride Layered Double Hydroxide","","","- Al2 Cl Li O6 -","- Al2.00012 Cl Li O6.00024 -","- Al2.00012 Cl Li O6.00024 -","1","0.0833333","","Venkataraman, Kavitha; Thomas, Grace S.","Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study.","ACS omega","2022","7","6","5393","5400","10.1021/acsomega.1c06630","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","7.3596","1.6","","","","","","","has coordinates","273256","2022-03-03","21:10:18",""
"6000657","6.8893","","6.8893","","12.6462","","90","","90","","120","","519.81","","","","","","","","","","","","","3","P -3 1 m","","","","","","- Br6 Li2 U -","","","","","","Maletka, K.; Ressouche, E.; Rundlof, H.; Tellgren, R.; Delaplane, R.; Szczepaniak, W.; Zablocka-Malicka, M.","Phase transitions in the ionic conductor Li2UBr6 studied by neutron diffraction","Solid State Ionics","1998","106","","55","69","10.1016/S0167-2738(97)00480-3","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7032950","26.4289","0.0003","26.4289","0.0003","36.9113","0.0004","90","","90","","120","","22327.9","0.4","100","2","100","2","","","","","","","","8","P -3 1 m","-P 3 2","162","","","","- C192 H220 Cr Er F18 N50 O18 S6 -","- C108 H90 Cr Er N24 -","- C432 H360 Cr4 Er4 N96 -","4","0.333333","","Zare, Davood; Suffren, Yan; Guénée, Laure; Eliseeva, Svetlana V.; Nozary, Homayoun; Aboshyan-Sorgho, Lilit; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude","Smaller than a nanoparticle with the design of discrete polynuclear molecular complexes displaying near-infrared to visible upconversion.","Dalton transactions (Cambridge, England : 2003)","2015","44","6","2529","2540","10.1039/c4dt02336f","","","0.8231","synchrotron","","0.062","0.0445","","","0.1195","0.1248","","","","","","0.974","","","","has coordinates","180035","2020-10-21","18:00:00",""
"7048152","21.0227","0.0012","21.0227","0.0012","16.8234","0.0018","90","","90","","120","","6439","0.9","293","2","293","2","","","","","","","","6","P -3 1 m","-P 3 2","162","","","","- C51 H30 In6 N6 O52 Tb3 -","- C51 H30 In6 N6 O52 Tb3 -","- C102 H60 In12 N12 O104 Tb6 -","2","0.166667","","Wang, Dongmei; Liu, Zihua; Xu, Lili; Li, Chunxia; Zhao, Dian; Ge, Genwu; Wang, Zhenling; Lin, Jun","A heterometallic metal-organic framework based on multi-nuclear clusters exhibiting high stability and selective gas adsorption.","Dalton transactions (Cambridge, England : 2003)","2018","48","1","278","284","10.1039/c8dt03826k","","","0.71073","MoKα","","0.1289","0.102","","","0.3318","0.3744","","","","","","1.134","","","","has coordinates","223935","2020-10-21","18:00:00",""
"7104828","6.8414","0.0012","6.8414","0.0012","8.015","0.003","90","","90","","120","","324.88","0.15","293","2","293","2","","","","","","","","5","P -3 1 m","-P 3 2","162","","","","- C6 Au3 Fe K N6 -","- C6 Au3 Fe K N6 -","- C6 Au3 Fe K N6 -","1","0.0833333","","Dong, Wen; Zhu, Li-Na; Sun, Ya-Qiu; Liang, Mao; Liu, Zhan-Quan; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Cheng, Peng","3D porous and 3D interpenetrating triple framework structures constructed by aurophilicity-coordination interplay in {Mn[Au(CN)2]2(H2O)2}n and {KFe[Au(CN)2]3}n","Chemical Communications (Cambridge, United Kingdom)","2003","","20","2544","2545","10.1039/b306026h","","","0.71073","MoKα","","0.042","0.0396","","","0.0898","0.0904","","","","","","1.035","","","","has coordinates","210540","2020-10-21","18:00:00",""
"7109278","5.318","","5.318","","4.951","","90","","90","","120","","121.261","","","","","","","","","","","","","2","P -3 1 m","-P 3 2","162","","","","- Ag6 O2 -","- Ag6 O2 -","- Ag6 O2 -","1","0.0833333","","Beesk, W.; Schwarzmann, E.; Rumpel, H.; Jones, P.G.; Sheldrick, G.M.","X-Ray Crystal Structure of Ag6 O2","Journal of the Chemical Society. Chemical Communications (1972-)","1981","1981","","664","665","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7207169","13.0158","0.0009","13.0158","0.0009","10.8532","0.0004","90","","90","","120","","1592.32","0.17","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Mn(DMSO)4(H2O)2][Mn2TCNQ3]","","","- C44 H40 Mn3 N12 O6 S4 -","- C36 H12 Mn2.999 N12 -","- C36 H12 Mn2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.1027","0.0821","","","0.2513","0.2809","","","","","","1.022","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207170","12.9515","0.0004","12.9515","0.0004","10.8818","0.0002","90","","90","","120","","1580.78","0.07","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Cd(DMSO)4(H2O)2][Cd2TCNQ3]","","","- C44 H40 Cd3 N12 O6 S4 -","- C36 H12 Cd2.999 N12 -","- C36 H12 Cd2.999 N12 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.043","0.039","","","0.1149","0.1181","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7207171","12.7447","0.0004","12.7447","0.0004","10.7107","0.0003","90","","90","","120","","1506.63","0.08","130","2","130","2","","","","","","","","6","P -3 1 m","-P 3 2","162","[Zn(DMSO)4(H2O)2][Zn2TCNQ3]","","","- C44 H40 N12 O6 S4 Zn3 -","- C36 H12 N12 Zn3 -","- C36 H12 N12 Zn3 -","1","0.0833333","","Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard","A new type of 3D [(MII)2(TCNQ−II)3]2− coordination network with spacious channels of hexagonal cross-section generated from TCNQH2","CrystEngComm","2012","14","2","351","","10.1039/c1ce06104f","","","1.54184","CuKα","","0.0883","0.0827","","","0.2757","0.2859","","","","","","1.161","","","","has coordinates","180402","2020-10-21","18:00:00",""
"7222689","4.28","","4.28","","6.71","","90","","90","","120","","106.449","","","","","","","","","","","","","2","P -3 1 m","-P 3 2","162","","","","- Si Te2 -","- Si Te2 -","- Si Te2 -","1","0.0833333","","Weiss, A.; Weiss, Ar.","Zur Kenntnis von Siliciumditellurid","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1953","8","","104","104","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7226963","12.1615","0.0003","12.1615","0.0003","10.4558","0.0005","90","","90","","120","","1339.25","0.08","273","2","273","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C12 H12 Ag5 Mo12 N18 O40 P -","- C12 H12 Ag5 Mo12 N18 O40 P -","- C12 H12 Ag5 Mo12 N18 O40 P -","1","0.0833333","","Sha, JingQuan; Yang, Xi-Ya; Zhu, Pei-Pei; Lan, Ya-Qian; Sheng, Ning","Two new silver triazole frameworks with polyoxometalate templates","RSC Adv.","2016","","","","","10.1039/C6RA23809B","","","0.71073","MoKα","","0.067","0.0534","","","0.1224","0.1291","","","","","","1.036","","","","has coordinates,has disorder","187682","2020-10-21","18:00:00",""
"7700981","5.958574","0.000025","5.958574","","9.65989","0.00007","90","","90","","120","","297.021","0.002","298","","298","","","","","","","","","5","P -3 1 m","-P 3 2","162","","","","- C6 Mn N12 Na2 Sn2 -","- C6 Mn N12 Na2 Sn2 -","- C6 Mn N12 Na2 Sn2 -","1","0.0833333","","Corkett, Alex J.; Dronskowski, Richard","A new tilt and an old twist on the nickel arsenide structure-type: synthesis and characterisation of the quaternary transition-metal cyanamides A<sub>2</sub>MnSn<sub>2</sub>(NCN)<sub>6</sub> (A = Li and Na).","Dalton transactions (Cambridge, England : 2003)","2019","48","40","15029","15035","10.1039/c9dt03062j","powder diffraction","x-ray","1.5406","CuKα1","","","","","","","","0.05966","","1.16","","","","","","","has coordinates","224247","2020-10-21","18:00:00",""
"7701897","5.23064","0.00011","5.23064","","4.62476","0.00018","90","","90","","120","","109.58","0.005","298","","298","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- Mn O6 Sn Te -","- Mn O6 Sn Te -","- Mn O6 Sn Te -","1","0.0833333","","Nalbandyan, V. B.; Evstigneeva, M. A.; Vasilchikova, T. M.; Bukhteev, K. Yu; Vasiliev, A. N.; Zvereva, E. A.","Trigonal layered rosiaite-related antiferromagnet MnSnTeO<sub>6</sub>: ion-exchange preparation, structure and magnetic properties.","Dalton transactions (Cambridge, England : 2003)","2018","47","41","14760","14766","10.1039/c8dt03329c","powder diffraction","x-ray","1.54056","","","","","","","","","0.19376","","1.96","","","","","","","has coordinates","227799","2020-10-21","18:00:00",""
"7706387","7.3928","0.0004","7.3928","0.0004","6.6613","0.0003","90","","90","","120","","315.29","0.03","296","2","296","2","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- C6 K2 N6 Pt -","- C6 K2 N6 Pt -","- C6 K2 N6 Pt -","1","0.0833333","","Fujii, Susumu; Ohtani, Ryo; Kuwabara, Akihide","Theoretical investigation of tetrahedral distortion of four-coordinate iron(II) centres in FePd(CN)<sub>4</sub>.","Dalton transactions (Cambridge, England : 2003)","2021","50","6","1990","1994","10.1039/d0dt04155f","","","0.71073","MoKα","","0.0119","0.0119","","","0.0281","0.0281","","","","","","1.21","","","","has coordinates","262645","2021-03-05","02:05:24",""
"7706418","7.3928","0.0004","7.3928","0.0004","6.6613","0.0003","90","","90","","120","","315.29","0.03","296","2","296","2","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- C6 K2 N6 Pt -","- C6 K2 N6 Pt -","- C6 K2 N6 Pt -","1","0.0833333","","Avila, Manuel; Torres, Lucero; Montero-Alejo, Ana L; Reguera, Leslie; Reguera, Edilso","On the CN<sup>-</sup>K coordination modes in K<sub>n</sub>[M<sup>6-n</sup>(CN)<sub>6</sub>]·xH<sub>2</sub>O: first evidence of CN<sup>-</sup>K electron-deficient bonding.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2510","2520","10.1039/d0dt04019c","","","0.71073","MoKα","","0.0119","0.0119","","","0.0281","0.0281","","","","","","1.21","","","","has coordinates","262661","2021-03-05","02:10:00",""
"7715457","7.0483","0.0007","7.0483","0.0007","7.1277","0.0008","90","","90","","120","","306.65","0.06","298","2","298","2","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- In0.8 Mn1.76 Si2 Te6 -","- In0.8 Mn1.758 Si2 Te6 -","- In0.8 Mn1.758 Si2 Te6 -","1","0.0833333","","Shahid, Omair; Yadav, Sweta; Manna, Kaustuv; Thakur, Gohil S.; Prakash, Jai","Low thermal conductivity in a new mixed metal telluride Mn<sub>1.8(1)</sub>In<sub>0.8(1)</sub>Si<sub>2</sub>Te<sub>6</sub>.","Dalton transactions (Cambridge, England : 2003)","2024","53","14","6245","6255","10.1039/d3dt03900e","","","0.71073","MoKα","","0.05","0.0372","","","0.0899","0.0963","","","","","","1.211","","","","has coordinates","290954","2024-04-04","23:29:24",""
"8101392","4.8502","0.0004","4.8502","0.0004","4.9853","0.0007","90","","90","","120","","101.564","0.019","293","2","293","2","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- As2 Hg O6 -","- As2 Hg O6 -","- As2 Hg O6 -","1","0.0833333","","Mormann, Thomas J.; Jeitschko, Wolfgang","Crystal structure of mercury(II) metaarsenate(V), HgAs~2~O~6~","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","4","471","472","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"8103409","5.9324","","5.9324","","6.4105","","90","","90","","120","","195.381","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","Ag5 Pb2 O6","","- Ag5 O6 Pb2 -","- Ag5 O6 Pb2 -","- Ag5 O6 Pb2 -","1","0.0833333","","Jansen, M.; Bortz, M.; Heidebrecht, K.","Ag5 Pb2 O6, eine weitere subvalente Verbindung des Silbers und Neubestimmung der Kristallstruktur von Ag2 Pb O2","Zeitschrift fuer Kristallographie (149,1979-)","1989","186","","147","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"9001848","4.7453","","4.7453","","4.345","","90","","90","","120","","84.732","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","Phase-D","- H2.22 Mg1.11 O6 Si1.89 -","- H2.22 Mg1.11 O6 Si1.89 -","- H2.22 Mg1.11 O6 Si1.89 -","1","0.0833333","","Yang, H.; Prewitt, C. T.; Frost, D. J.","Crystal structure of the dense hydrous magnesium silicate, phase D","American Mineralogist","1997","82","","651","654","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002344","10.145","","10.145","","4.9925","","90","","90","","120","","444.993","","","","","","","","","","","","","8","P -3 1 m","-P 3 2","162","","","Quetzalcoatlite","- Ag0.24 Cl0.84 Cu3 H6 O18 Pb0.3 Te2 Zn6 -","- Ag0.24 Cl0.84 Cu3 H6 O18 Pb0.3 Te2 Zn6 -","- Ag0.24 Cl0.84 Cu3 H6 O18 Pb0.3 Te2 Zn6 -","1","0.0833333","","Burns, P. C.; Pluth, J. J.; Smith, J. V.; Eng, P.; Steele, I. M.; Housley, R. M.","Quetzalcoatlite: New octahedral-tetrahedral structure from 2x2x40 micron crystal at the Advanced Photon Source-GSE-CARS Facility","American Mineralogist","2000","85","","604","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9002655","4.9827","","4.9827","","6.4354","","90","","90","","120","","138.368","","","","","","","","","","","","","5","P -3 1 m","-P 3 2","162","Phase-X","","Phase-X","- Al0.12 Mg1.88 Na1.78 O7 Si2 -","- Al0.12 Mg1.88 Na1.78 O7 Si2 -","- Al0.12 Mg1.88 Na1.78 O7 Si2 -","1","0.0833333","","Yang, H.; Konzett, J.; Prewitt, C. T.","Crystal structure of phase X, a high pressure alkali-rich hydrous silicate and its anhydrous equivalent Sample: JKW42","American Mineralogist","2001","86","","1483","1488","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:29",""
"9004452","5.316","","5.316","","9.719","","90","","90","","120","","237.86","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","Leisingite","- Cu2 Mg O12 Te -","- Cu2 Mg O12 Te -","- Cu2 Mg O12 Te -","1","0.0833333","","Margison, S. M.; Grice, J. D.; Groat, L. A.","The crystal structure of leisingite, (Cu,Mg,Zn)2(Mg,Fe)TeO6.6H2O","The Canadian Mineralogist","1997","35","","759","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9005282","5.295","","5.295","","5.372","","90","","90","","120","","130.436","","","","","","","","","","","","Cetine mine, Siena, Italy","3","P -3 1 m","-P 3 2","162","","","Rosiaite","- O6 Pb Sb2 -","- O6 Pb Sb2 -","- O6 Pb Sb2 -","1","0.0833333","","Basso, R.; Lucchetti, G.; Zefiro, L.; Palenzona, A.","Rosiaite, PbSb2O6, a new mineral from the Cetine mine, Siena, Italy","European Journal of Mineralogy","1996","8","","487","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007893","4.8269","","4.8269","","4.866","","90","","90","","120","","98.184","","","","","","","","","","","","","3","P -3 1 m","-P 3 2","162","","","","- As2 Cd O6 -","- As2 Cd O6 -","- As2 Cd O6 -","1","0.0833333","","Weil, M.","Cadmium(II) metaarsenate(V), CdAs2O6","Acta Crystallographica, Section E","2001","57","","i22","i23","10.1107/S1600536801003865","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9013993","5.5241","","5.5241","","11.0113","","90","","90","","120","","291","","","","","","","","","","","","","4","P -3 1 m","-P 3 2","162","","","","- Fe3 H30 O12.236 S0.5 -","- Fe3 O12.236 S0.5 -","- Fe3 O12.236 S0.5 -","1","0.0833333","","Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R.","Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis Locality: synthetic","Solid State Sciences","2003","5","","327","334","10.1016/S1293-2558(02)00019-5","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"9014069","4.7621","","4.7621","","4.2964","","90","","90","","120","","84.379","","","","","","","","","","","","Synthetic","5","P -3 1 m","-P 3 2","162","","","Phase-D (Al-rich)","- Al1.33 Fe0.21 Mg0.16 O6 Si0.91 -","- Al1.33 Fe0.21 Mg0.16 O6 Si0.91 -","- Al1.33 Fe0.21 Mg0.16 O6 Si0.91 -","1","0.0833333","","Boffa Ballaran, T.; Frost, D. J.; Miyajima, N.; Heidelbach, F.","The structure of a super-aluminous version of the dense hydrous-magnesium silicate phase D","American Mineralogist","2010","95","","1113","1116","10.2138/am.2010.3462","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9017818","5.5241","","5.5241","","11.0113","","90","","90","","120","","291","","","","","","","","","","","","Synthetic","4","P -3 1 m","-P 3 2","162","","","","- Fe3 H14.472 O12.236 S0.5 -","- Fe3 H14.472 O12.236 S0.5 -","- Fe3 H14.472 O12.236 S0.5 -","1","0.0833333","","Simon, L.; Francois, M.; Refait, P.; Renaudin, G.; Lelaurain, M.; Genin, J. M. R.","Structure of Fe(II-III) layered double hydroxysulphate green rust two from Rietveld analysis","Solid State Sciences","2003","5","","327","334","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""