Crystallography Open Database
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Searching journal of publication like 'Crystals'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1569813 | CIF | Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 | R 3 m :H | 15.8313; 15.8313; 7.104 90; 90; 120 | 1541.94 | Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290 |
1569814 | CIF | Al8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49 | R 3 m :H | 15.8839; 15.8839; 7.116 90; 90; 120 | 1554.82 | Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290 |
1569815 | CIF | Al24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47 | R 3 m :H | 15.8345; 15.8345; 7.1039 90; 90; 120 | 1542.54 | Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290 |
1569816 | CIF | Al8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49 | R 3 m :H | 15.874; 15.874; 7.1138 90; 90; 120 | 1552.41 | Rizzo, Floriana; Bosi, Ferdinando; Tempesta, Gioacchino; Agrosì, Giovanna Compositional Variation and Crystal-Chemical Characterization of a Watermelon Variety of Tourmaline from Anjanabonoina, Central Madagascar Crystals, 2023, 13, 1290 |
1572295 | CIF | C21 H24 N O6 P3 | R 3 c :H | 18.2554; 18.2554; 11.4177 90; 90; 120 | 3295.28 | Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals, 2024, 14, 662 |
3000098 | CIF | B2 Ba O4 | R 3 c :H | 12.5269; 12.5269; 12.7181 90; 90; 120 | 1728.38 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000099 | CIF | B2 Ba O4 | R 3 c :H | 12.5517; 12.5517; 12.985 90; 90; 120 | 1771.6 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000100 | CIF | B2 Ba O4 | R 3 c :H | 12.5806; 12.5806; 12.7947 90; 90; 120 | 1753.7 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000101 | CIF | B2 Ba O4 | R 3 c :H | 12.5685; 12.5685; 12.7714 90; 90; 120 | 1747.2 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000102 | CIF | B2 Ba O4 | R 3 c :H | 12.582; 12.582; 12.7519 90; 90; 120 | 1748.3 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000103 | CIF | B2 Ba O4 | R 3 c :H | 12.5828; 12.5828; 12.7291 90; 90; 120 | 1745.4 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000104 | CIF | B2 Ba O4 | R 3 c :H | 12.5868; 12.5868; 12.709 90; 90; 120 | 1743.7 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000105 | CIF | B2 Ba O4 | R 3 c :H | 12.5761; 12.5761; 12.6453 90; 90; 120 | 1732.02 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
1569629 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5443; 9.5443; 7.5603 90; 90; 120 | 596.428 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569630 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.543; 9.543; 7.5634 90; 90; 120 | 596.51 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569631 | CIF | Al0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95 | R 3 2 :H | 9.5435; 9.5435; 7.5628 90; 90; 120 | 596.525 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569632 | CIF | Al0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95 | R 3 2 :H | 9.5534; 9.5534; 7.5767 90; 90; 120 | 598.862 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569633 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5329; 9.5329; 7.5553 90; 90; 120 | 594.61 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569634 | CIF | B4 Bi0.05 Fe3 O12 Sm0.95 | R 3 2 :H | 9.565; 9.565; 7.5869 90; 90; 120 | 601.125 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569635 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5443; 9.5443; 7.5598 90; 90; 120 | 596.388 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569636 | CIF | Al0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93 | R 3 2 :H | 9.5595; 9.5595; 7.5816 90; 90; 120 | 600.015 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569637 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5444; 9.5444; 7.5601 90; 90; 120 | 596.424 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569638 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5439; 9.5439; 7.5624 90; 90; 120 | 596.543 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569639 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5443; 9.5443; 7.5632 90; 90; 120 | 596.657 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569640 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5452; 9.5452; 7.568 90; 90; 120 | 597.148 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569641 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5438; 9.5438; 7.5616 90; 90; 120 | 596.468 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569642 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5441; 9.5441; 7.5621 90; 90; 120 | 596.545 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569643 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.544; 9.544; 7.561 90; 90; 120 | 596.445 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569644 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.545; 9.545; 7.5598 90; 90; 120 | 596.476 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1569645 | CIF | Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93 | R 3 2 :H | 9.5446; 9.5446; 7.5602 90; 90; 120 | 596.457 | Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A. Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K Crystals, 2023, 13, 1128 |
1572811 | CIF | Ag0.38 Pb0.25 Sb2.38 Te4 | R -3 m :H | 4.2887; 4.2887; 41.544 90; 90; 120 | 661.74 | Grauer, Maxim; Benndorf, Christopher; Rohr, Valentin; Paulmann, Carsten; Oeckler, Oliver Investigations of Some Disordered Quaternary Compounds in the Systems Ag/Pb/Sb/Se and Ag/Pb/Sb/Te Crystals, 2024, 14, 789 |
1520321 | CIF | B Ga O3 | R -3 c :H | 4.5659; 4.5659; 14.1764 90; 90; 120 | 255.947 | Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3 Crystals, 2015, 5, 252 |
3000106 | CIF | B2 Ba O4 | R -3 c :H | 7.242; 7.242; 39.25 90; 90; 120 | 1783 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000107 | CIF | B2 Ba O4 | R -3 c :H | 7.227; 7.227; 39.031 90; 90; 120 | 1765 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
1508370 | CIF | C5 H19.47 N2 O5.24 P | R -3 :H | 31.075; 31.075; 6.1875 90; 90; 120 | 5174.5 | Harrison, William T. A. Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O Crystals, 2011, 1, 236-243 |
1508387 | CIF | Lu20 Ru11 | R -3 :H | 12.5514; 12.5514; 29.73 90; 90; 120 | 4056.1 | Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms Crystals, 2012, 2, 704-709 |
1572296 | CIF | C30 H48 N O6 P3 Si3 | R -3 :H | 12.1818; 12.1818; 92.431 90; 90; 120 | 11878.8 | Knerr, Steven; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg Two Modifications of Nitrilotris(methylenephenylphosphinic) Acid: A Polymeric Network with Intermolecular (O=P–O–H)3 vs. Monomeric Molecules with Intramolecular (O=P–O–H)3 Hydrogen Bond Cyclotrimers Crystals, 2024, 14, 662 |
1559471 | CIF | Bi6 Br7 | P n n m | 15.4996; 23.6435; 9.0231 90; 90; 90 | 3306.65 | Stroganova, Ekaterina A.; Troyanov, Sergey I.; Morozov, Igor V.; Kuznetsov, Alexey N. Bismuth Polycations Revisited: Alternative Synthesis and Electronic Structure of Bi6Br7, and Bonding in Main-Group Polyatomic Ions from a Direct Space Perspective Crystals, 2020, 10, 940 |
1566037 | CIF | Ca7 Mg O16 Si4 | P n n m | 18.3434; 6.7313; 10.8844 90; 90; 90 | 1344 | Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite Crystals, 2020, 11, 14 |
9017428 | CIF | Fe Se2 | P n n m | 4.804; 5.781; 3.5817 90; 90; 90 | 99.471 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 0.0 GPa Crystals, 2018, 8 |
9017429 | CIF | Fe Se2 | P n n m | 4.771; 5.756; 3.5663 90; 90; 90 | 97.937 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 1.7 GPa Crystals, 2018, 8 |
9017430 | CIF | Fe Se2 | P n n m | 4.751; 5.729; 3.5467 90; 90; 90 | 96.536 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa Crystals, 2018, 8 |
9017431 | CIF | Fe Se2 | P n n m | 4.698; 5.667; 3.5088 90; 90; 90 | 93.417 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa Crystals, 2018, 8 |
9017432 | CIF | Fe Se2 | P n n m | 4.603; 5.581; 3.4492 90; 90; 90 | 88.608 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa Crystals, 2018, 8 |
9017433 | CIF | Fe Se2 | P n n m | 4.555; 5.524; 3.409 90; 90; 90 | 85.777 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa Crystals, 2018, 8 |
9017434 | CIF | Fe Se2 | P n n m | 4.488; 5.471; 3.3734 90; 90; 90 | 82.83 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa Crystals, 2018, 8 |
9017435 | CIF | Fe Se2 | P n n m | 4.404; 5.391; 3.3185 90; 90; 90 | 78.788 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa Crystals, 2018, 8 |
9017436 | CIF | Fe Se2 | P n n m | 4.7885; 5.7782; 3.5821 90; 90; 90 | 99.113 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa Crystals, 2018, 8 |
9017437 | CIF | Fe Se2 | P n n m | 4.7893; 5.7775; 3.5795 90; 90; 90 | 99.045 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
9017438 | CIF | Fe Se2 | P n n m | 4.7834; 5.7767; 3.5789 90; 90; 90 | 98.893 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa Crystals, 2018, 8 |
9017439 | CIF | Fe Se2 | P n n m | 4.751; 5.723; 3.5501 90; 90; 90 | 96.527 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa Crystals, 2018, 8 |
9017440 | CIF | Fe Se2 | P n n m | 4.7446; 5.772; 3.5512 90; 90; 90 | 97.253 | Lavina, B.; Downs, R. T.; Sinogeikin, S. The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa Crystals, 2018, 8 |
1508408 | CIF | Ba Lu2 S4 | P n m a | 12.1143; 3.9556; 14.2781 90; 90; 90 | 684.2 | Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals, 2012, 1, 78-86 |
1508409 | CIF | Ba Lu2 Se4 | P n m a | 12.6132; 4.1089; 14.8774 90; 90; 90 | 771.04 | Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals, 2012, 1, 78-86 |
1508410 | CIF | Ba Lu2 Te4 | P n m a | 13.5358; 4.3847; 15.9362 90; 90; 90 | 945.82 | Schurz, Christian M.; Schleid, Thomas Single Crystals of the Isotypic Series BaLu2Ch4 (Ch = S, Se and Te) with CaFe2O4-Type Structure Crystals, 2012, 1, 78-86 |
1508443 | CIF | As6 Ga3 Na8 Rb | P n m a | 22.843; 4.7892; 16.861 90; 90; 90 | 1844.6 | He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals, 2012, 2, 213-223 |
1508444 | CIF | Ga3 Na8 P6 Rb | P n m a | 22.276; 4.6947; 16.356 90; 90; 90 | 1710.5 | He, Hua; Tyson,Chauntae; Bobev, Svilen Synthesis and Crystal Structures of the Quaternary Zintl Phases RbNa8Ga3Pn6 (Pn = P, As) and Na10NbGaAs6 Crystals, 2012, 2, 213-223 |
1508453 | CIF | C16 H10 Au N4 S6 Se2 | P n m a | 42.054; 12.3735; 4.276 90; 90; 90 | 2225 | Furuta, Keisuke; Kohno, Shuhei; Shirahata, Takashi; Yamasaki, Koya; Hino, Shojun; Misaki, Yohji Synthesis and Properties of 2-Alkylidene-1,3-dithiolo[4,5-d]-4,5-ethylenediselenotetrathiafulvalene Derivatives and Crystal Structures of Their Cation Radical Salts Crystals, 2012, 2, 393-412 |
1540501 | CIF | As3 Ga Sr3 | P n m a | 12.757; 19.268; 6.503 90; 90; 90 | 1598.4 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
1540503 | CIF | As3 Ba3 Ga | P n m a | 13.3589; 19.9788; 6.8008 90; 90; 90 | 1815.1 | Stoyko, Stanislav; Voss, Leonard; He, Hua; Bobev, Svilen Synthesis, Crystal and Electronic Structures of the Pnictides AE3TrPn3 (AE = Sr, Ba; Tr = Al, Ga; Pn = P, As) Crystals, 2015, 5, 433 |
1570706 | CIF | Bi6 O15 Te2 | P n m a | 10.5831; 22.694; 5.3843 90; 90; 90 | 1293.2 | Kim, Sun Woo; Chang, Hong Young Structural Analysis, Characterization, and First-Principles Calculations of Bismuth Tellurium Oxides, Bi6Te2O15 Crystals, 2023, 14, 23 |
1571379 | CIF | C5 H6 Cl2 Cu N4 | P n m a | 8.71; 6.292; 15.26 90; 90; 90 | 836.3 | Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals, 2024, 14, 319 |
1571380 | CIF | C5 H6 Br2 Cu N4 | P n m a | 8.924; 6.3937; 15.626 90; 90; 90 | 891.6 | Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals, 2024, 14, 319 |
1571381 | CIF | C5 H6 Cl2 Cu N4 | P n m a | 8.6664; 6.2964; 14.894 90; 90; 90 | 812.72 | Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals, 2024, 14, 319 |
1571382 | CIF | C5 H6 Br2 Cu N4 | P n m a | 8.943; 6.4316; 15.2113 90; 90; 90 | 874.92 | Yamba, Zaina; Peoble, Anna; Novikov, Egor; Castañeda, Raúl; Timofeeva, Tatiana Interplay of Isomorphs and Polymorphs of Amidino-Copper(II) Complexes with Different Halides Crystals, 2024, 14, 319 |
1508372 | CIF | C14 H9 F N2 O S | P n a 21 | 22.43; 8.1478; 13.522 90; 90; 90 | 2471.2 | Saeed, Aamer; Flörke, Ulrich Synthesis and Crystal Structure of 1-(3-Fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one Crystals, 2011, 1, 254-259 |
1508479 | CIF | C15 H15 N O S | P n a 21 | 9.208; 14.0485; 10.3826 90; 90; 90 | 1343.08 | Open; Access; Kubicki, Maciej; Dutkiewicz, Grzegorz; Yathirajan, Hemmige S.; Dawar, Pankaj; Ramesha, Andagar R.; Dayananda, Alaloor S. Crystal and Molecular Structures of Two 2-Aminothiophene Derivatives Crystals, 2012, 2, 1058-1066 |
3000114 | CIF | B3 Li O5 | P n a 21 | 8.478; 7.398; 5.22 90; 90; 90 | 327.4 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000115 | CIF | B3 Li O5 | P n a 21 | 8.4386; 7.3725; 5.1954 90; 90; 90 | 323.22 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000116 | CIF | B3 Li O5 | P n a 21 | 8.4524; 7.3868; 5.202 90; 90; 90 | 324.79 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000117 | CIF | B3 Li O5 | P n a 21 | 8.4437; 7.377; 5.189 90; 90; 90 | 323.22 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000118 | CIF | B3 Li O5 | P n a 21 | 8.501; 7.4043; 5.211 90; 90; 90 | 328 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000119 | CIF | B3 Li O5 | P n a 21 | 8.446; 7.3749; 5.175 90; 90; 90 | 322.34 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000120 | CIF | B3 Li O5 | P n a 21 | 8.4605; 7.3809; 5.1703 90; 90; 90 | 322.87 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000121 | CIF | B3 Li O5 | P n a 21 | 8.4453; 7.3653; 5.1564 90; 90; 90 | 320.74 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
3000122 | CIF | B3 Li O5 | P n a 21 | 8.5109; 7.4112; 5.173 90; 90; 90 | 326.29 | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations Crystals, 2017, 7, 93 |
1568587 | CIF | Cl2 Cu H4 O2 | P m n a | 8.0553; 3.7295; 7.3674 90; 90; 90 | 221.333 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
1568588 | CIF | Cl2 Cu H4 O2 | P m n a | 8.0405; 3.7238; 7.3585 90; 90; 90 | 220.32 | Boeré, René T. Crystal Structures of CuCl2·2H2O (Eriochalcite) and NiCl2∙6H2O (Nickelbischofite) at Low Temperature: Full Refinement of Hydrogen Atoms Using Non-Spherical Atomic Scattering Factors Crystals, 2023, 13, 293 |
1508418 | CIF | Ba8 Ga14.5 Sn31.5 | P m -3 n | 11.68; 11.68; 11.68 90; 90; 90 | 1593.4 | Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Ternary Compounds in the Sn-Rich Section of the Ba-Ga-Sn System: Ba8Ga16-xSn30+x (1.1 <= x <= 2.8) Clathrates of Type-I and Type-VIII, and BaGa2-xSn4+x (x ? 0.2) with a Clathrate-like Structure Crystals, 2012, 1, 145-162 |
1549467 | CIF | C2 H3 Na O2 | P c c a | 5.9482; 10.0866; 5.8984 90; 90; 90 | 353.89 | Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss New Polymorphs of the Phase-Change Material Sodium Acetate Crystals, 2018, 8, 213 |
1566042 | CIF | C54 H36 F9 N2 O6 Pr | P c a 21 | 20.1848; 11.9034; 19.6102 90; 90; 90 | 4711.7 | Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S. Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes Crystals, 2021, 11, 179 |
1569812 | CIF | C22 H17 Cl2 F6 N3 O3 | P c a 21 | 12.6058; 20.0622; 9.0538 90; 90; 90 | 2289.7 | Li, Guangyan; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Tian, Beiqian; Feng, Ziwei; Liu, Ailing; Li, Yaling; Hao, Hongxun Crystal Structure Analysis, Stability, Phase Transformation and Selective Nucleation Mechanism of Fluralaner Polymorphs Crystals, 2023, 13, 1241 |
1508363 | CIF | C94 H88 N24 Ni6 O19 S2 | P b c n | 15.525; 22.703; 31.993 90; 90; 90 | 11276.4 | Zheng, Xiao-Feng; Zhu, Long-Guan An Unsymmetrical Trinickel Metal Complex with 4-Sulfobenzoate Axial Ligand: [Ni3(dpa)4(4-sb)(H2O)]x3H2O Crystals, 2011, 1, 120-127 |
1559469 | CIF | C8 H12 N2 O2 | P b c n | 15.072; 7.9873; 6.841 90; 90; 90 | 823.55 | Destro, Riccardo; Roversi, Pietro; Soave, Raffaella; Hovestad, Arjan; Lo Presti, Leonardo Experimental Charge Density Analysis and Electrostatic Properties of Crystalline 1,3-Bis(Dimethylamino)Squaraine and Its Dihydrate from Low Temperature (T = 18 and 20 K) XRD Data Crystals, 2020, 10, 894 |
1571376 | CIF | C24 H28 Mn N4 O5 | P b c n | 19.2401; 12.1579; 10.1312 90; 90; 90 | 2369.9 | Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K. Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies Crystals, 2024, 14, 318 |
1571377 | CIF | C18 H26 Cu N4 O4 | P b c n | 15.6899; 10.7161; 11.3062 90; 90; 90 | 1900.96 | Boro, Mridul; Baishya, Trishnajyoti; Frontera, Antonio; Barceló-Oliver, Miquel; Bhattacharyya, Manjit K. Energetic Features of H-Bonded and π-Stacked Assemblies in Pyrazole-Based Coordination Compounds of Mn(II) and Cu(II): Experimental and Theoretical Studies Crystals, 2024, 14, 318 |
1508376 | CIF | C10 H24 Cl5 Fe N2 O4 | P b c m | 6.2717; 12.841; 25.693 90; 90; 90 | 2069.2 | Bäcker, Tobias; Mudring, Anja-Verena Betaine Chloride-Betaine Tetrachloridoferrate(III). An Ionic Liquid Related Crystal Structure Governed by the Pearson Concept Crystals, 2012, 2, 110-117 |
3000167 | CIF | Al D5 Sr | P b c m | 4.6226; 12.6213; 5.0321 90; 90; 90 | 293.59 | Sato, Toyoto; Takagi, Shigeyuki; Sorby, Magnus H.; Deledda, Stefano; Hauback, Bjorn C.; Orimo, Shin-ichi Crystal Structural Determination of SrAlD5 with Corner-sharing AlD6 Octahedron Chains by X-ray and Neutron Diffraction Crystals, 2018, 8, 89 |
1508427 | CIF | C7 H15 N7 | P b c a | 5.9696; 16.7493; 19.0799 90; 90; 90 | 1907.73 | Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Hummel, Michael; Schottenberger, Herwig 1,4-Diazabicyclo[2.2.2]octane (DABCO) 5-aminotetrazolates Crystals, 2012, 2, 96-104 |
1567430 | CIF | C8 H13 N O Si | P b c a | 11.6876; 24.898; 13.833 90; 90; 90 | 4025.4 | Seidel, Anne; Weigel, Mareike; Ehrlich, Lisa; Gericke, Robert; Brendler, Erica; Wagler, Jörg Molecular Structures of the Silicon Pyridine-2-(thi)olates Me3Si(pyX), Me2Si(pyX)2 and Ph2Si(pyX)2 (py = 2-Pyridyl, X = O, S), and Their Intra- and Intermolecular Ligand Exchange in Solution Crystals, 2022, 12, 1054 |
1568782 | CIF | C51 H47 N9 O14 Zn | P b c a | 14.6426; 20.0946; 32.345 90; 90; 90 | 9517.1 | Pook, Niels-Patrick Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations Crystals, 2023, 13, 569 |
1569808 | CIF | C16 H17 Cd N9 O S2 | P b c a | 14.6614; 15.9147; 18.0194 90; 90; 90 | 4204.5 | Soliman, Saied M.; Al-Rasheed, Hessa H.; AL-khamis, Sarah A.; Haukka, Matti; El-Faham, Ayman X-ray Structures and Hirshfeld Studies of Two Dinuclear Cd(II) Complexes with a s-Triazine/Pyrazolo Ligand and Pesudohalides as a Linker Crystals, 2023, 13, 1198 |
1571393 | CIF | C30 H22 F6 Ir N6 P | P b c a | 10.8324; 16.0987; 31.5748 90; 90; 90 | 5506.3 | Stumbo, Emily E.; Hodge, Emarald K.; Williams, Matthew; Thornton, Diana A.; McMillen, Colin D.; Pienkos, Jared A. Synthesis and Crystallographic Characterization of Heteroleptic Ir(III) Complexes Containing the N-oxide Functional Group and Crystallographic Characterization of Ir(III) N-oxide Precursors Crystals, 2024, 14, 281 |
1508473 | CIF | C6 H3 Br3 N2 | P b c 21 | 7.1109; 7.8014; 15.6397 90; 90; 90 | 867.61 | Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig Halogen Interactions in 2,4,5-Tribromoimidazolium Salts Crystals, 2012, 2, 1017-1033 |
1508415 | CIF | Ba Sn3 | P 63/m m c | 7.2279; 7.2279; 5.469 90; 90; 120 | 247.44 | Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure Crystals, 2012, 1, 104-111 |
1508416 | CIF | Ba In0.2 Sn2.8 | P 63/m m c | 7.2604; 7.2604; 5.382 90; 90; 120 | 245.69 | Schαfer, Marion C.; Yamasaki, Yuki; Fritsch, Veronika; Bobev, Svilen Indium Doping in BaSn3-x Inx (0 <= x <= 0.2) with Ni3Sn Structure Crystals, 2012, 1, 104-111 |
1570708 | CIF | K Na O4 S | P 63/m m c | 5.669; 5.669; 7.75 90; 90; 120 | 215.7 | Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions Crystals, 2023, 14, 27 |
1570709 | CIF | K Na O4 S | P 63/m m c | 5.654; 5.654; 8.353 90; 90; 120 | 231.25 | Shablinskii, Andrey; Bubnova, Rimma; Shorets, Olga; Krzhizhanovskaya, Maria; Volkov, Sergey; Filatov, Stanislav Novel High-Temperature Modification of Belomarinaite KNaSO4: Crystal Structure and Thermal Order–Disorder Phase Transitions Crystals, 2023, 14, 27 |
1568586 | CIF | In O3 Tb | P 63 c m | 6.3088; 6.3088; 12.3067 90; 90; 120 | 424.195 | Min, Chang; Wu, You; Li, Yanbin; Zhou, Chunming; Cheong, Sang-Wook; Lu, Xiaosong; Zhou, Tianyuan; Zhang, Le Structural and Improper Ferroelectric Properties of TbInO3 Single Crystal Grown by Laser Floating Zone Crystals, 2023, 13, 287 |
1508388 | CIF | C76 H56 Co2 K N20 O4 | P 42/n :2 | 21.37; 21.37; 7.4607 90; 90; 90 | 3407.1 | Tanaka, Yasuhiro; Ishikawa, Manabu; Watanabe, Naoko; Takahashi, Yukihiro; Naito, Toshio; Inabe, Tamotsu Metallic one-dimensional conductors composed of axially ligated (phthalocyanato)CoIII with supramolecular cations of A(EtOH)4 (A = Na and K) Crystals, 2012, 2, 946-957 |
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