Crystallography Open Database

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4000750 CIFCe0.08 Na0.67 O1.5 Si0.5R -3 m :H10.442; 10.442; 13.216
90; 90; 120
1248Wang, Xi; Li, Jiyang; Han, Yide; Li, Yi; Yu, Jihong; Xu, Ruren
Na8CeSi6O18and Its Ti-Doped Analogue Na8Ce0.73Ti0.27Si6O18with Interesting Photovoltaic Properties
Chemistry of Materials, 2011, 23, 2842
4000751 CIFGa Se4 Ta4 Te4F -4 3 m10.8423; 10.8423; 10.8423
90; 90; 90
1274.6Guiot, V.; Janod, E.; Corraze, B.; Cario, L.
Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)
Chemistry of Materials, 2011, 23, 2611
4000752 CIFGa Se2 Ta4 Te6F -4 3 m10.9955; 10.9955; 10.9955
90; 90; 90
1329.4Guiot, V.; Janod, E.; Corraze, B.; Cario, L.
Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)
Chemistry of Materials, 2011, 23, 2611
4000753 CIFGa Se5.24 Ta4 Te2.76F -4 3 m10.7389; 10.7389; 10.7389
90; 90; 90
1238.5Guiot, V.; Janod, E.; Corraze, B.; Cario, L.
Control of the Electronic Properties and Resistive Switching in the New Series of Mott Insulators GaTa4Se8‒yTey(0 ≤y≤ 6.5)
Chemistry of Materials, 2011, 23, 2611
4000754 CIFC27 H64 O4 Sn4 Zn4P 1 21 111.3691; 11.2041; 17.6065
90; 101.148; 90
2200.4Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias
Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications
Chemistry of Materials, 2011, 23, 2428
4000755 CIFC23 H56 O4 Sn4 Zn4P 1 21 111.2398; 11.0673; 16.6253
90; 98.927; 90
2043.04Tsaroucha, Marianna; Aksu, Yilmaz; Irran, Elisabeth; Driess, Matthias
Synthesis of Stannyl-Substituted Zn4O4Cubanes as Single-Source Precursors for Amorphous Tin-Doped ZnO and Zn2SnO4Nanocrystals and Their Potential for Thin Film Field Effect Transistor Applications
Chemistry of Materials, 2011, 23, 2428
4000756 CIFC30 H15 F5P -17.03676; 11.5431; 13.8379
76.874; 75.87; 74.923
1036.28Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka
Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties
Chemistry of Materials, 2011, 23, 1646
4000757 CIFC30 H20P -19.2589; 10.9073; 10.9164
66.773; 80.036; 89.745
995.33Okamoto, Toshihiro; Nakahara, Katsumasa; Saeki, Akinori; Seki, Shu; Oh, Joon Hak; Akkerman, Hylke B.; Bao, Zhenan; Matsuo, Yutaka
Aryl−Perfluoroaryl Substituted Tetracene: Induction of Face-to-Face π−π Stacking and Enhancement of Charge Carrier Properties
Chemistry of Materials, 2011, 23, 1646
4000758 CIFC34 H68 Ag2 O4 P2P -111.004; 13.139; 15.31
81.67; 87.02; 69.85
2056.1Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku
Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films
Chemistry of Materials, 2011, 23, 2901
4000759 CIFC16 H25 Ag F7 O2 PP b c n15.573; 16.835; 16.276
90; 90; 90
4267.1Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku
Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films
Chemistry of Materials, 2011, 23, 2901
4000760 CIFC86 H50 Cu9 N40 O22P n n 213.464; 29.985; 19.717
90; 90; 90
7960Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul
Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks
Chemistry of Materials, 2011, 23, 2908
4000761 CIFC21 H23 Cu2 N9 O6I m m 27.119; 21.58; 9.1
90; 90; 90
1398Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul
Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks
Chemistry of Materials, 2011, 23, 2908
4000762 CIFC11.16 H8 Cu F0.33 N5 O3I m a 27.185; 9.1854; 21.544
90; 90; 90
1421.8Pachfule, Pradip; Chen, Yifei; Sahoo, Subash Chandra; Jiang, Jianwen; Banerjee, Rahul
Structural Isomerism and Effect of Fluorination on Gas Adsorption in Copper-Tetrazolate Based Metal Organic Frameworks
Chemistry of Materials, 2011, 23, 2908
4000763 CIFB5 F Na O12 UC 1 c 111.185; 6.4007; 14.191
90; 104.634; 90
983Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates
Chemistry of Materials, 2011, 23, 2931
4000764 CIFB5 F K O11 UP 1 21/n 16.443; 13.439; 10.799
90; 90.625; 90
935Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates
Chemistry of Materials, 2011, 23, 2931
4000765 CIFB25 F22 K11 O51 U6P 63/m11.0914; 11.0914; 26.577
90; 90; 120
2831.5Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates
Chemistry of Materials, 2011, 23, 2931
4000766 CIFB5 F O11 Rb UC 1 c 111.1442; 6.4828; 13.874
90; 95.462; 90
997.8Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates
Chemistry of Materials, 2011, 23, 2931
4000767 CIFB5 F O11 Tl UP 16.4163; 6.4663; 7.1357
103.275; 92.053; 119.58
246.67Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates
Chemistry of Materials, 2011, 23, 2931
4000768 CIFB5 F Na Np O12C 1 c 111.1753; 6.3975; 14.113
90; 104.93; 90
974.9Wang, Shuao; Alekseev, Evgeny V.; Diwu, Juan; Miller, Hannah M.; Oliver, Allen G.; Liu, Guokui; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.
Functionalization of Borate Networks by the Incorporation of Fluoride: Syntheses, Crystal Structures, and Nonlinear Optical Properties of Novel Actinide Fluoroborates
Chemistry of Materials, 2011, 23, 2931
4000769 CIFC42 H48 O13 S12 Zn4F m -3 m25.559; 25.559; 25.559
90; 90; 90
16697He, Jun; Yee, Ka-Kit; Xu, Zhengtao; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming
Thioether Side Chains Improve the Stability, Fluorescence, and Metal Uptake of a Metal‒Organic Framework
Chemistry of Materials, 2011, 23, 2940
4000770 CIFAl2 Co S4P -3 m 13.62; 3.62; 11.97
90; 90; 120
135.84Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.
High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)
Chemistry of Materials, 2011, 23, 3086
4000771 CIFAl2 Mn S4R 3 m :H3.7013; 3.7013; 36.416
90; 90; 120
432Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.
High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)
Chemistry of Materials, 2011, 23, 3086
4000772 CIFAl2 Fe S4P -3 m 13.6825; 3.6825; 12.192
90; 90; 120
143.18Menard, Melissa C.; Ishii, Rieko; Higo, Tomoya; Nishibori, Eigi; Sawa, Hiroshi; Nakatsuji, Satoru; Chan, Julia Y.
High-Resolution Synchrotron Studies and Magnetic Properties of Frustrated Antiferromagnets MAl2S4(M = Mn2+, Fe2+, Co2+)
Chemistry of Materials, 2011, 23, 3086
4000773 CIFCr Ga2 Se16 V7F -4 3 m10.171; 10.171; 10.171
90; 90; 90
1052.2Bichler, Daniel; Johrendt, Dirk
Interplay of Magnetism and Bonding in GaV4‒xCrxSe8
Chemistry of Materials, 2011, 23, 3014
4000774 CIFCr Ga Se8 V3F -4 3 m10.1818; 10.1818; 10.1818
90; 90; 90
1055.5Bichler, Daniel; Johrendt, Dirk
Interplay of Magnetism and Bonding in GaV4‒xCrxSe8
Chemistry of Materials, 2011, 23, 3014
4000775 CIFCr3 Ga2 Se16 V5F -4 3 m10.1661; 10.1661; 10.1661
90; 90; 90
1050.7Bichler, Daniel; Johrendt, Dirk
Interplay of Magnetism and Bonding in GaV4‒xCrxSe8
Chemistry of Materials, 2011, 23, 3014
4000776 CIFCr2 Ga Se8 V2F -4 3 m10.1623; 10.1623; 10.1623
90; 90; 90
1049.5Bichler, Daniel; Johrendt, Dirk
Interplay of Magnetism and Bonding in GaV4‒xCrxSe8
Chemistry of Materials, 2011, 23, 3014
4000777 CIFCr5 Ga2 Se16 V3F -4 3 m10.2045; 10.2045; 10.2045
90; 90; 90
1062.6Bichler, Daniel; Johrendt, Dirk
Interplay of Magnetism and Bonding in GaV4‒xCrxSe8
Chemistry of Materials, 2011, 23, 3014
4000778 CIFCr3 Ga Se8 VF -4 3 m10.236; 10.236; 10.236
90; 90; 90
1072.5Bichler, Daniel; Johrendt, Dirk
Interplay of Magnetism and Bonding in GaV4‒xCrxSe8
Chemistry of Materials, 2011, 23, 3014
4000779 CIFCr7 Ga2 Se16 VF -4 3 m10.2525; 10.2525; 10.2525
90; 90; 90
1077.7Bichler, Daniel; Johrendt, Dirk
Interplay of Magnetism and Bonding in GaV4‒xCrxSe8
Chemistry of Materials, 2011, 23, 3014
4000780 CIFBi0.94 Mn7 O12I m -37.458; 7.458; 7.458
90; 90; 90
414.8Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo
Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12
Chemistry of Materials, 2011, 23, 3628
4000781 CIFBi0.95 Mn7 O12R 3 :R6.4774; 6.4774; 6.4774
109.57; 109.57; 109.57
208.44Mezzadri, Francesco; Buzzi, Michele; Pernechele, Chiara; Calestani, Gianluca; Solzi, Massimo; Migliori, Andrea; Gilioli, Edmondo
Polymorphism and Multiferroicity in Bi1‒x/3(MnIII3)(MnIII4‒xMnIVx)O12
Chemistry of Materials, 2011, 23, 3628
4000782 CIFGa Se2 TlC 1 2/c 110.779; 10.776; 15.663
90; 99.993; 90
1791.7Johnsen, Simon; Liu, Zhifu; Peters, John A.; Song, Jung-Hwan; Peter, Sebastian C.; Malliakas, Christos D.; Cho, Nam Ki; Jin, Hosub; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.
Thallium Chalcogenide-Based Wide-Band-Gap Semiconductors: TlGaSe2for Radiation Detectors
Chemistry of Materials, 2011, 23, 3120
4000783 CIFTe3 Tl2 ZrP 21 319.1179; 19.1179; 19.1179
90; 90; 90
6987.5Sankar, Cheriyedath Raj; Guch, Mykhailo; Assoud, Abdeljalil; Kleinke, Holger
Structural, Thermal, and Physical Properties of the Thallium Zirconium Telluride Tl2ZrTe3
Chemistry of Materials, 2011, 23, 3886
4000784 CIFC45.5 H32 O2.5P 1 21/c 111.2592; 21.3322; 13.6198
90; 101.797; 90
3202.2Fumagalli, Enrico; Raimondo, Luisa; Silvestri, Leonardo; Moret, Massimo; Sassella, Adele; Campione, Marcello
Oxidation Dynamics of Epitaxial Rubrene Ultrathin Films
Chemistry of Materials, 2011, 23, 3246
4000785 CIFC50 H44 O6P -17.6249; 11.1636; 22.6554
101.703; 94.307; 97.867
1860Fumagalli, Enrico; Raimondo, Luisa; Silvestri, Leonardo; Moret, Massimo; Sassella, Adele; Campione, Marcello
Oxidation Dynamics of Epitaxial Rubrene Ultrathin Films
Chemistry of Materials, 2011, 23, 3246
4000786 CIFCo F0 Li2 O5 PP n m a10.452; 6.391; 10.874
90; 90; 90
726.369Hadermann, Joke; Abakumov, Artem M.; Turner, Stuart; Hafideddine, Zainab; Khasanova, Nellie R.; Antipov, Evgeny V.; Van Tendeloo, Gustaaf
Solving the Structure of Li Ion Battery Materials with Precession Electron Diffraction: Application to Li2CoPO4F
Chemistry of Materials, 2011, 23, 3540
4000787 CIFC60 H80 F72 Li8 N16 O48 S24P -118.4561; 19.2278; 21.1756
75.381; 89.901; 89.104
7270.4Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A.
Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties
Chemistry of Materials, 2011, 23, 4331
4000788 CIFC64 H88 F72 Li8 N16 O48 S24P -118.4848; 19.1867; 22.1063
74.5677; 88.853; 89.2831
7555.9Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A.
Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties
Chemistry of Materials, 2011, 23, 4331
4000789 CIFGe3 Li2.03 Ni O8P 43 3 28.27528; 8.27528; 8.27528
90; 90; 90
566.693Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.
Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)
Chemistry of Materials, 2011, 23, 3556
4000790 CIFGe3 Li2 Ni O8P 43 3 28.19851; 8.19851; 8.19851
90; 90; 90
551.067Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.
Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)
Chemistry of Materials, 2011, 23, 3556
4000791 CIFGe3 Li1.99 O8 ZnP 43 3 28.28823; 8.28823; 8.28823
90; 90; 90
569.358Reeves-McLaren, Nik; Smith, Ronald I.; West, Anthony R.
Lithium-Ion Conduction Pathways in Complex Lithium Spinels Li2MGe3O8(M = Ni or Zn)
Chemistry of Materials, 2011, 23, 3556
4000792 CIFBa Mo2 O9 TeP c a 2114.8683; 5.6636; 17.6849
90; 90; 90
1489.21Zhang, Junjie; Zhang, Zhonghan; Zhang, Weiguo; Zheng, Qingxin; Sun, Youxuan; Zhang, Chengqian; Tao, Xutang
Polymorphism of BaTeMo2O9: A New Polar Polymorph and the Phase Transformation
Chemistry of Materials, 2011, 23, 3752
4000793 CIFCu1.76 K0.24 La0.67 Te2P 63/m9.955; 9.955; 4.228
90; 90; 120
362.9Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling
Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)
Chemistry of Materials, 2011, 23, 4910
4000794 CIFCe0.67 Cu1.76 K0.24 Te2P 63/m9.9649; 9.9649; 4.2042
90; 90; 120
361.54Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling
Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)
Chemistry of Materials, 2011, 23, 4910
4000795 CIFCu1.75 K0.25 Pr0.67 Te2P 63/m9.9598; 9.9598; 4.1763
90; 90; 120
358.78Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling
Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)
Chemistry of Materials, 2011, 23, 4910
4000796 CIFCu1.74 K0.26 Nd0.67 Te2P 63/m9.9683; 9.9683; 4.159
90; 90; 120
357.9Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling
Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)
Chemistry of Materials, 2011, 23, 4910
4000797 CIFCu1.76 La0.67 Rb0.24 Te2P 63/m10.0056; 10.0056; 4.2336
90; 90; 120
367.05Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling
Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)
Chemistry of Materials, 2011, 23, 4910
4000798 CIFCe0.67 Cu1.76 Rb0.24 Te2P 63/m10.0014; 10.0014; 4.1976
90; 90; 120
363.62Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling
Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)
Chemistry of Materials, 2011, 23, 4910
4000799 CIFCu1.78 Pr0.67 Rb0.22 Te2P 63/m9.9955; 9.9955; 4.1643
90; 90; 120
360.31Meng, Chang-Yu; Chen, Hong; Wang, Peng; Chen, Ling
Syntheses, Structures, and Magnetic and Thermoelectric Properties of Double-Tunnel Tellurides: AxRE2Cu6‒xTe6(A = K‒Cs; RE = La‒Nd)
Chemistry of Materials, 2011, 23, 4910

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