Crystallography Open Database

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7213149 CIFC39 H42 Cl3 I3 S24P -113.653; 20.303; 12.677
104.622; 116.501; 81.65
3040.8Akutagawa, Tomoyuki; Abe, Yukako; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Sugiura, Ken­ich; Sakata, Yoshiteru; Christensen, Christian A.; Lau, Jesper; Becher, Jan
Crystal structures and optical properties of cation radical salts of a tetrathiafulvalene trisannulated macrocycle
Journal of Materials Chemistry, 1999, 9, 2737
7213151 CIFC12 H52 N8 O43 P10 Zn12P 1 n 113.0923; 14.2717; 14.2197
90; 90.308; 90
2656.9Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.
Unusual dual role of the organic amine in an open­framework structure
Journal of Materials Chemistry, 1999, 9, 2789
7213159 CIFC33 H21 Ge N O12 S16P 1 21/c 118.4545; 10.9939; 23.0803
90; 112.43; 90
4328.43Martin, Lee; Turner, Scott S.; Day, Peter; Guionneau, Philippe; Howard, Judith A. K.; Uruichi, Mikio; Yakushi, Kyuya
Synthesis, crystal structure and properties of the semiconducting molecular charge‐transfer salt (bedt‐ttf)2Ge(C2O4)3ṡPhCN [bedt-ttf=bis(ethylenedithio)tetrathiafulvalene]
Journal of Materials Chemistry, 1999, 9, 2731
7213160 CIFC33 H21 Ge N O12 S16P 1 21/c 118.7332; 11.0665; 23.0587
90; 112.504; 90
4416.3Martin, Lee; Turner, Scott S.; Day, Peter; Guionneau, Philippe; Howard, Judith A. K.; Uruichi, Mikio; Yakushi, Kyuya
Synthesis, crystal structure and properties of the semiconducting molecular charge‐transfer salt (bedt‐ttf)2Ge(C2O4)3ṡPhCN [bedt-ttf=bis(ethylenedithio)tetrathiafulvalene]
Journal of Materials Chemistry, 1999, 9, 2731
7214216 CIFLi1.14 Mn1.86 O4F d -3 m :28.1784; 8.1784; 8.1784
90; 90; 90
547.02Berg, H.; Kelder, E. M.; Thomas, J. O.
Neutron diffraction study of stoichiometric spinel Li1+x Mn2-x O4 showing octahedral 16c-site Li-occupation
Journal of Materials Chemistry, 1999, 9, 427-429
7217098 CIFO56 P8 Pb4 V8P 21 21 216.377; 6.3842; 25.357
90; 90; 90
1032.3Le Fur, E.; Pivan, J. Y.
Synthesis, crystal structure and magnetic properties of the novel stacking variant lamellar lead oxovanadium phosphate hydrate β‐Pb(VOPO4)2ṡ4H2O. Crystal chemical relationships with related intercalated M(VOPO4)2ṡyH2O compounds
Journal of Materials Chemistry, 1999, 9, 2589
7217099 CIFK O12 P3 U2C 1 2/c 117.479; 6.758; 8.019
90; 102.01; 90
926.5Guesdon, Anne; Provost, Jackie; Raveau, Bernard
New thorium and uranium monophosphates in the KTh2(PO4)3 family: structure and cationic non‐stoichiometry
Journal of Materials Chemistry, 1999, 9, 2583
7217100 CIFC8 H28 N4 O26 P6 Zn7C 1 2/c 116.134; 8.2407; 22.86
90; 104.05; 90
2948.4Kongshaug, Kjell Ove; Fjellvåg, Helmer; Lillerud, Karl Petter
The synthesis and crystal structure of a new open-framework zincophosphate UiO‐17
Journal of Materials Chemistry, 1999, 9, 3119
7217101 CIFC40 H80 O16 Ti4P 1 21/c 114.061; 10.546; 18.891
90; 99.29; 90
2764.6Miele‐Pajot, Nathalie; Hubert-Pfalzgraf, Liliane G.; Papiernik, Renée; Vaissermann, Jacqueline; Collier, Rémy
Synthesis and molecular structure of [Ti4(OPri)8(μ,η2­OCH2CHCHCH2O)2(μ3,η2­OCH2CHCHCH2O)2]. Application to the elaboration of low density, microcellular, doped organic materials
Journal of Materials Chemistry, 1999, 9, 3027
7217102 CIFC44 H72 N Ni S12 Se4C 1 2/c 135.437; 10.079; 17.512
90; 106.65; 90
5993Ueda, Kazumasa; Kamata, Yutaka; Iwamatsu, Masaki; Sugimoto, Toyonari; Fujita, Hideo
A neutral bis(diethylthiotetrathiafulvalenyldiselenolato)nickel complex: a superior organic conductor to the corresponding dithiolato derivative
Journal of Materials Chemistry, 1999, 9, 2979
7217103 CIFC36 H32 N4 O4 S8P -17.686; 11.454; 11.617
76.59; 80.25; 84.48
978.7Bryce, Martin R.; Moore, Adrian J.; Batsanov, Andrei S.; Howard, Judith A. K.; Petty, Michael C.; Williams, Geoffrey; Rotello, Vincent; Cuello, Alejandro
4-Ethoxycarbonyl-4′,5,5′-trimethyltetrathiafulvalene and its radical cation: Langmuir–Blodgett film studies, EPR spectra and the X-ray crystal structure of (Me3TTF-CO2Et)2·TCNQ complex
Journal of Materials Chemistry, 1999, 9, 2973
7217104 CIFC3 H6 As3 N3 O13 Zn4P 1 21 17.814; 15.498; 7.815
90; 92.911; 90
945.2Harrison, William T. A.; Phillips, Mark L. F.; Chavez, Alejandra V.; Nenoff, Tina M.
Syntheses and structures of the open­framework phases (CH3NH3)3·Zn4O(AsO4)3 and (CH3NH3)3·Zn4O(PO4)3 related to the M3Zn4O(XO4)3·nH2O family
Journal of Materials Chemistry, 1999, 9, 3087
7217105 CIFC3 N3 O13 P3 Zn4P 1 21 17.6569; 15.241; 7.6589
90; 92.74; 90
892.76Harrison, William T. A.; Phillips, Mark L. F.; Chavez, Alejandra V.; Nenoff, Tina M.
Syntheses and structures of the open­framework phases (CH3NH3)3·Zn4O(AsO4)3 and (CH3NH3)3·Zn4O(PO4)3 related to the M3Zn4O(XO4)3·nH2O family
Journal of Materials Chemistry, 1999, 9, 3087
7217106 CIFC7 H17 Fe2 N2 O16 P3P 1 21/n 110.8294; 12.7465; 12.3971
90; 95.115; 90
1704.4Choudhury, Amitava; Natarajan, Srinivasan
A hybrid open‐framework structure: synthesis and structure of an iron phosphate oxalate, [C10N4H28][Fe2(HPO4)3(C2O4)]2
Journal of Materials Chemistry, 1999, 9, 3113
7217107 CIFC46 H40 B N O SP 1 21/c 19.648; 20.874; 17.8
90; 94.32; 90
3575Yagi, Shigeyuki; Maeda, Katsumi; Nakazumi, Hiroyuki
Photochromic properties of cationic merocyanine dyes. Thermal stability of the spiropyran form produced by irradiation with visible light
Journal of Materials Chemistry, 1999, 9, 2991
7217108 CIFC44 H101 O11 Y3P 1 21/c 119.431; 10.867; 27.55
90; 99.15; 90
5743Veith, Michael; Mathur, Sanjay; Kareiva, Aivaras; Jilavi, Mohammad; Zimmer, Michael; Huch, Volker
Low temperature synthesis of nanocrystalline Y3Al5O12 (YAG) and Ce-doped Y3Al5O12 via different sol‒gel methods
Journal of Materials Chemistry, 1999, 9, 3069
7221012 CIFLi2 Nb2 O7 SrF m m m5.5939; 5.6013; 18.011
90; 90; 90
564.341Bhuvanesh, N.S.P.; Duroy, H.; Crosnier-Lopez, M.P.; Fourquet, J.L.
Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)
Journal of Materials Chemistry, 1999, 9, 3093-3100
7221013 CIFLi2 O7 Sr Ta2I 4/m m m3.9499; 3.9499; 18.2
90; 90; 90
283.951Bhuvanesh, N.S.P.; Crosnier-Lopez, M.P.; Fourquet, J.L.; Duroy, H.
Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)
Journal of Materials Chemistry, 1999, 9, 3093-3100
7221014 CIFLa1.72 Li2 Nb0.66 O10 Ti2.34P 42/n c m :25.473; 5.473; 26.331
90; 90; 90
788.712Bhuvanesh, N.S.P.; Fourquet, J.L.; Duroy, H.; Crosnier-Lopez, M.P.
Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)
Journal of Materials Chemistry, 1999, 9, 3093-3100
7221015 CIFFe0.04 Li2 Nb3.96 O13 Sr2.07I 4/m m m3.952; 3.952; 33.746
90; 90; 90
527.055Bhuvanesh, N.S.P.; Crosnier-Lopez, M.P.; Duroy, H.; Fourquet, J.L.
Synthesis and structure of novel layered perovskite oxides: Li2 La1.78 Nb0.66 Ti2.34 O10, and a new family, Li2 (A0.5n Bn O3n+1)
Journal of Materials Chemistry, 1999, 9, 3093-3100
7221016 CIFAl1.908 Co0.092 H10.092 N2 O10 P2P 21 21 219.429; 9.592; 9.897
90; 90; 90
895.114Bontchev, R.P.; Sevov, S.C.
Hydrothermal synthesis and characterization of two ammonium-templated cobalt aluminophosphates
Journal of Materials Chemistry, 1999, 9, 2679-2682
7221017 CIFF0.8 Fe2 O6 Sr3I 4/m m m3.8664; 3.8664; 20.7794
90; 90; 90
310.632Case, G.S.; Hector, A.L.; Weller, M.T.; Levason, W.; Needs, R.L.; Thomas, M.F.
Syntheses, powder neutron diffraction structures and Mossbauer studies of some complex iron oxyfluorides: Sr3 Fe2 O6 F0.87, Sr2 Fe O3 F and Ba2 In Fe O5 F0.68
Journal of Materials Chemistry, 1999, 9, 2821-2827
7221018 CIFBa F0.318 Fe0.5 In0.5 O2.5P m -3 m4.1644; 4.1644; 4.1644
90; 90; 90
72.22Case, G.S.; Hector, A.L.; Levason, W.; Needs, R.L.; Thomas, M.F.; Weller, M.T.
Syntheses, powder neutron diffraction structures and Mossbauer studies of some complex iron oxyfluorides: Sr3 Fe2 O6 F0.87, Sr2 Fe O3 F and Ba2 In Fe O5 F0.68
Journal of Materials Chemistry, 1999, 9, 2821-2827
7221024 CIFK0.06 La0.85 Mn Na0.09 O3R -3 c :H5.4979; 5.4979; 13.3584
90; 90; 120
349.686El-Fadli, Z.; Coret, E.; Sapina, F.; Martinez, E.; Beltran, A.; Lloret, F.; Beltran, D.
Low temperature synthesis, structure and magnetic properties of La0.85 (Na1-x Kx)0.15 Mn O3 perovskites: the role of A cation size disparity in the electronic properties of mixed-valence manganates
Journal of Materials Chemistry, 1999, 9, 1793-1799
7221025 CIFK0.15 La0.85 Mn O3R -3 c :H5.5036; 5.5036; 13.3945
90; 90; 120
351.359El-Fadli, Z.; Sapina, F.; Coret, E.; Martinez, E.; Beltran, A.; Beltran, D.; Lloret, F.
Low temperature synthesis, structure and magnetic properties of La0.85 (Na1-x Kx)0.15 Mn O3 perovskites: the role of A cation size disparity in the electronic properties of mixed-valence manganates
Journal of Materials Chemistry, 1999, 9, 1793-1799
7221037 CIFBa H2 Mn2 O9 P2C 1 2 19.457; 4.984; 8.346
90; 92.07; 90
393.121Escobal, J.; Mesa, J.L.; Pizarro, J.L.; Lezama, L.; Olazcuaga, R.; Rojo, T.
Hydrothermal synthesis, structural, spectroscopic and magnetic studies of a lamellar phosphate: Ba (Mn P O4)2 . (H2 O)
Journal of Materials Chemistry, 1999, 9, 2691-2695
7221039 CIFLi2 Nb2 O7 SrC m c m18.0071; 5.5979; 5.592
90; 90; 90
563.684Floros, N.; Raveau, B.; Hervieu, M.; Michel, C.
New n=2 members of the Li2 Srn-1 Mn O3n+1 family, closely related to the Ruddlesden-Popper phases: structure and non-stoichiometry
Journal of Materials Chemistry, 1999, 9, 3101-3106
7221048 CIFBi2 Nb2 O9 SrA 21 a m5.5172; 5.5149; 25.08069
90; 90; 90
763.125Ismunandar; Kennedy, B.J.
Effect of temperature on cation disorder in A Bi2 Nb2 O9 (A = Sr, Ba)
Journal of Materials Chemistry, 1999, 9, 541-544
7221049 CIFBa Bi2 Nb2 O9I 4/m m m3.939; 3.939; 25.6364
90; 90; 90
397.767Ismunandar; Kennedy, B.J.
Effect of temperature on cation disorder in A Bi2 Nb2 O9 (A = Sr, Ba)
Journal of Materials Chemistry, 1999, 9, 541-544
7221065 CIFMn0.96 Nd O2.886P n m a5.87766; 7.66068; 5.41051
90; 90; 90
243.618Maguire, E.T.; Coats, A.M.; West, A.R.; Skakle, J.M.S.
Stoichiometry and defect structure of 'Nd Mn O3'
Journal of Materials Chemistry, 1999, 9, 1337-1346
7221066 CIFMn Nd0.984 O2.915P n m a5.78808; 7.5564; 5.41013
90; 90; 90
236.623Maguire, E.T.; Coats, A.M.; Skakle, J.M.S.; West, A.R.
Stoichiometry and defect structure of 'Nd Mn O3'
Journal of Materials Chemistry, 1999, 9, 1337-1346
7221072 CIFC0.1364 Ba Cu1.0623 O2.3318I m -3 m18.25969; 18.25969; 18.25969
90; 90; 90
6088.08Peitola, K.; Karppinen, M.; Rundloef, H.; Tellgren, R.; Yamauchi, H.; Niinisto, L.
Structural changes related to changes in oxygen stoichiometry in the Ba1-y Cu O2+d (C O2)x system as determined by powder X-ray and neutron diffraction
Journal of Materials Chemistry, 1999, 9, 2599-2603
7221073 CIFC0.1282 Ba Cu1.0623 O2.2364I m -3 m18.2334; 18.2334; 18.2334
90; 90; 90
6061.82Peitola, K.; Karppinen, M.; Niinisto, L.; Tellgren, R.; Rundloef, H.; Yamauchi, H.
Structural changes related to changes in oxygen stoichiometry in the Ba1-y Cu O2+d (C O2)x system as determined by powder X-ray and neutron diffraction
Journal of Materials Chemistry, 1999, 9, 2599-2603
7221074 CIFK1.012 O22 P2 W6P 1 21/m 16.6736; 5.3543; 11.9005
90; 92.615; 90
424.791Roussel, P.; Drouard, S.; Groult, D.; Labbe, P.H.; Schlenker, C.; Dumas, J.
Crystal structure and electrical properties of K2 P4 W12 O44, the m=6 member of the series of low-dimensional conductors Kx (P O2)4 (W O3)2m
Journal of Materials Chemistry, 1999, 9, 973-978
7221075 CIFIn2 O6 Zn3R -3 m :H3.3534; 3.3534; 42.51
90; 90; 120
413.992Schinzer, C.; Matar, S.F.; Heyd, F.
Zn3 In2 O6 - crystallographic and electronic structure
Journal of Materials Chemistry, 1999, 9, 1569-1573
7221076 CIFAl2 N14 O4 Si10 Sr2I m m 28.2788; 9.5757; 4.9158
90; 90; 90
389.702Shen, Z.-J.; Esmaeilzadeh, S.; Grins, J.; Ehrenberg, H.
Preparation and crystal structure of a new Sr containing sialon phase Sr2 Alx Si12-x N16-x O2+x (x=2)
Journal of Materials Chemistry, 1999, 9, 1019-1022
7221077 CIFBa O2.916 TiP 63/m m c5.73116; 5.73116; 13.99109
90; 90; 120
397.985Sinclair, D.C.; Skakle, J.M.S.; Morrison, F.D.; Beales, T.P.; Smith, R.I.
Structure and electrical properties of oxygen-deficient hexagonal Ba Ti O3
Journal of Materials Chemistry, 1999, 9, 1327-1331
7221078 CIFBa O2.88 TiP 63/m m c5.73658; 5.73658; 14.01046
90; 90; 120
399.291Sinclair, D.C.; Skakle, J.M.S.; Beales, T.P.; Morrison, F.D.; Smith, R.I.
Structure and electrical properties of oxygen-deficient hexagonal Ba Ti O3
Journal of Materials Chemistry, 1999, 9, 1327-1331
7221079 CIFBi3 Na O10 V2P 17.0613; 7.2086; 5.5343
113.328; 84.479; 112.249
238.94Sinclair, D.C.; Skakle, J.M.S.; Marinou, E.
The crystal structure of a new oxide ion conductor Na Bi3 V2 O10 and oxide ion conductivity in Pb2 Bi2 V2 O10
Journal of Materials Chemistry, 1999, 9, 2617-2621
7221082 CIFLa Li2 O7 Ta2I 4/m m m3.925; 3.925; 19.089
90; 90; 90
294.078Toda, K.; Teranishi, T.; Takahashi, M.; Ye, Z.-G.; Sato, M.; Hinatsu, Y.
Synthesis and structure determination of reduced tantalates, Li2 La Ta2 O7, Li2 Ca2 Ta3 O10 and Na2 Ca2 Ta3 O10, with a layered perovskite structure
Journal of Materials Chemistry, 1998, 9, 799-803
7221083 CIFCa2 Li2 O10 Ta3I 4/m m m3.8927; 3.8927; 26.591
90; 90; 90
402.936Toda, K.; Takahashi, M.; Teranishi, T.; Hinatsu, Y.; Sato, M.; Ye, Z.-G.
Synthesis and structure determination of reduced tantalates, Li2 LaTa2 O7, Li2 Ca2 Ta3 O10 and Na2 Ca2 Ta3 O10, with a layered perovskite structure
Journal of Materials Chemistry, 1998, 9, 799-803
7221084 CIFCa2 Na O10 Ta3I 4/m m m3.8607; 3.8607; 29.216
90; 90; 90
435.465Toda, K.; Ye, Z.-G.; Takahashi, M.; Teranishi, T.; Sato, M.; Hinatsu, Y.
Synthesis and structure determination of reduced tantalates, Li2 LaTa2 O7, Li2 Ca2 Ta3 O10 and Na2 Ca2 Ta3 O10, with a layered perovskite structure
Journal of Materials Chemistry, 1998, 9, 799-803
7221085 CIFCa2 Na2 O10 Ta3I 4/m m m3.8872; 3.8872; 28.655
90; 90; 90
432.986Toda, K.; Sato, M.; Takahashi, M.; Teranishi, T.; Ye, Z.-G.; Hinatsu, Y.
Synthesis and structure determination of reduced tantalates, Li2 LaTa2 O7, Li2 Ca2 Ta3 O10 and Na2 Ca2 Ta3 O10, with a layered perovskite structure
Journal of Materials Chemistry, 1998, 9, 799-803
7221086 CIFBi2 O5.94 UC 1 2 16.8782; 4.0057; 9.6939
90; 90.11; 90
267.086Vannier, R.N.; Thery, O.; Kinowski, C.; Huve, M.; van Tendeloo, G.; Abraham, F.; Suard, E.
Zr substituted bismuth uranate
Journal of Materials Chemistry, 1999, 9, 435-443
7221087 CIFBi2 O5.82 U0.9 Zr0.1C 1 2 16.8949; 4.0051; 9.691
90; 90.08; 90
267.614Vannier, R.N.; Huve, M.; Thery, O.; Kinowski, C.; van Tendeloo, G.; Suard, E.; Abraham, F.
Zr substituted bismuth uranate
Journal of Materials Chemistry, 1999, 9, 435-443
7221088 CIFBi2 O5.72 U0.65 Zr0.35P -34.0136; 4.0136; 9.6474
90; 90; 120
134.589Vannier, R.N.; Thery, O.; van Tendeloo, G.; Kinowski, C.; Huve, M.; Suard, E.; Abraham, F.
Zr substituted bismuth uranate
Journal of Materials Chemistry, 1999, 9, 435-443
7221089 CIFLi2 O12 S3 V2C 1 2/c 113.0582; 8.6526; 8.7247
90; 115.443; 90
890.173Vaughan, G.M.B.; Quarton, M.; Gaubicher, J.; le Mercier, T.; Angenault, J.; Chabre, Y.
Crystal structure of the end product of electrochemical lithium intercalation in V2 (S O4)3
Journal of Materials Chemistry, 1999, 9, 2809-2812
7221090 CIFBa Fe2 O5.036 SmP m m m3.94611; 3.9578; 7.62294
90; 90; 90
119.054Karen, P.; Woodward, P.M.
Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE= Nd, Sm)
Journal of Materials Chemistry, 1998, 9, 789-797
7221091 CIFBa Fe2 O5.091 SmP 4/m m m3.95091; 3.95091; 7.64129
90; 90; 90
119.278Karen, P.; Woodward, P.M.
Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)
Journal of Materials Chemistry, 1998, 9, 789-797
7221092 CIFBa Fe2 O5.498 SmP 4/m m m3.9397; 3.9397; 7.75526
90; 90; 90
120.371Karen, P.; Woodward, P.M.
Synthesis and structural investigations of the double perovskites RE Ba Fe2 O5+w (RE = Nd, Sm)
Journal of Materials Chemistry, 1998, 9, 789-797

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