Crystallography Open Database

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1569813 CIFAl8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49R 3 m :H15.8313; 15.8313; 7.104
90; 90; 120
1541.94Rizzo, 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 CIFAl8.08 B3.51 Ca0.25 F0.33 H3.36 Li0.76 Mn0.16 Na0.42 O31 Si5.49R 3 m :H15.8839; 15.8839; 7.116
90; 90; 120
1554.82Rizzo, 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 CIFAl24.24 B10.53 Ca0.74 F0.2 H10.08 Li2.27 Mn0.49 Na1.26 Oi93 Si16.47R 3 m :H15.8345; 15.8345; 7.1039
90; 90; 120
1542.54Rizzo, 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 CIFAl8.08 B3.51 Ca0.25 F0.07 H3.36 Li0.76 Mn0.16 Na0.42 Oi31 Si5.49R 3 m :H15.874; 15.874; 7.1138
90; 90; 120
1552.41Rizzo, 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 CIFC21 H24 N O6 P3R 3 c :H18.2554; 18.2554; 11.4177
90; 90; 120
3295.28Knerr, 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 CIFB2 Ba O4R 3 c :H12.5269; 12.5269; 12.7181
90; 90; 120
1728.38Bubnova, 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 CIFB2 Ba O4R 3 c :H12.5517; 12.5517; 12.985
90; 90; 120
1771.6Bubnova, 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 CIFB2 Ba O4R 3 c :H12.5806; 12.5806; 12.7947
90; 90; 120
1753.7Bubnova, 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 CIFB2 Ba O4R 3 c :H12.5685; 12.5685; 12.7714
90; 90; 120
1747.2Bubnova, 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 CIFB2 Ba O4R 3 c :H12.582; 12.582; 12.7519
90; 90; 120
1748.3Bubnova, 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 CIFB2 Ba O4R 3 c :H12.5828; 12.5828; 12.7291
90; 90; 120
1745.4Bubnova, 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 CIFB2 Ba O4R 3 c :H12.5868; 12.5868; 12.709
90; 90; 120
1743.7Bubnova, 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 CIFB2 Ba O4R 3 c :H12.5761; 12.5761; 12.6453
90; 90; 120
1732.02Bubnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5443; 9.5443; 7.5603
90; 90; 120
596.428Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.543; 9.543; 7.5634
90; 90; 120
596.51Smirnova, 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 CIFAl0.25 B4 Bi0.05 Fe2.75 O12 Sm0.95R 3 2 :H9.5435; 9.5435; 7.5628
90; 90; 120
596.525Smirnova, 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 CIFAl0.17 B4 Bi0.05 Fe2.83 O12 Sm0.95R 3 2 :H9.5534; 9.5534; 7.5767
90; 90; 120
598.862Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5329; 9.5329; 7.5553
90; 90; 120
594.61Smirnova, 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 CIFB4 Bi0.05 Fe3 O12 Sm0.95R 3 2 :H9.565; 9.565; 7.5869
90; 90; 120
601.125Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5443; 9.5443; 7.5598
90; 90; 120
596.388Smirnova, 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 CIFAl0.07 B4 Bi0.07 Fe2.93 O12 Sm0.93R 3 2 :H9.5595; 9.5595; 7.5816
90; 90; 120
600.015Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5444; 9.5444; 7.5601
90; 90; 120
596.424Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5439; 9.5439; 7.5624
90; 90; 120
596.543Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5443; 9.5443; 7.5632
90; 90; 120
596.657Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5452; 9.5452; 7.568
90; 90; 120
597.148Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5438; 9.5438; 7.5616
90; 90; 120
596.468Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5441; 9.5441; 7.5621
90; 90; 120
596.545Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.544; 9.544; 7.561
90; 90; 120
596.445Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.545; 9.545; 7.5598
90; 90; 120
596.476Smirnova, 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 CIFAl0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93R 3 2 :H9.5446; 9.5446; 7.5602
90; 90; 120
596.457Smirnova, 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 CIFAg0.38 Pb0.25 Sb2.38 Te4R -3 m :H4.2887; 4.2887; 41.544
90; 90; 120
661.74Grauer, 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 CIFB Ga O3R -3 c :H4.5659; 4.5659; 14.1764
90; 90; 120
255.947Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth
Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3
Crystals, 2015, 5, 252
3000106 CIFB2 Ba O4R -3 c :H7.242; 7.242; 39.25
90; 90; 120
1783Bubnova, 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 CIFB2 Ba O4R -3 c :H7.227; 7.227; 39.031
90; 90; 120
1765Bubnova, 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 CIFC5 H19.47 N2 O5.24 PR -3 :H31.075; 31.075; 6.1875
90; 90; 120
5174.5Harrison, 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 CIFLu20 Ru11R -3 :H12.5514; 12.5514; 29.73
90; 90; 120
4056.1Zimmermann, Sina; Pantenburg, Ingo; Meyer, Gerd
Ru11Lu20, a New Intermetallic Compound with Eight- to Ten-Coordinate Ruthenium Atoms
Crystals, 2012, 2, 704-709
1572296 CIFC30 H48 N O6 P3 Si3R -3 :H12.1818; 12.1818; 92.431
90; 90; 120
11878.8Knerr, 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 CIFBi6 Br7P n n m15.4996; 23.6435; 9.0231
90; 90; 90
3306.65Stroganova, 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 CIFCa7 Mg O16 Si4P n n m18.3434; 6.7313; 10.8844
90; 90; 90
1344Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi
Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite
Crystals, 2020, 11, 14
9017428 CIFFe Se2P n n m4.804; 5.781; 3.5817
90; 90; 90
99.471Lavina, 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 CIFFe Se2P n n m4.771; 5.756; 3.5663
90; 90; 90
97.937Lavina, 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 CIFFe Se2P n n m4.751; 5.729; 3.5467
90; 90; 90
96.536Lavina, 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 CIFFe Se2P n n m4.698; 5.667; 3.5088
90; 90; 90
93.417Lavina, 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 CIFFe Se2P n n m4.603; 5.581; 3.4492
90; 90; 90
88.608Lavina, 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 CIFFe Se2P n n m4.555; 5.524; 3.409
90; 90; 90
85.777Lavina, 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 CIFFe Se2P n n m4.488; 5.471; 3.3734
90; 90; 90
82.83Lavina, 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 CIFFe Se2P n n m4.404; 5.391; 3.3185
90; 90; 90
78.788Lavina, 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 CIFFe Se2P n n m4.7885; 5.7782; 3.5821
90; 90; 90
99.113Lavina, 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 CIFFe Se2P n n m4.7893; 5.7775; 3.5795
90; 90; 90
99.045Lavina, 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 CIFFe Se2P n n m4.7834; 5.7767; 3.5789
90; 90; 90
98.893Lavina, 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 CIFFe Se2P n n m4.751; 5.723; 3.5501
90; 90; 90
96.527Lavina, 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 CIFFe Se2P n n m4.7446; 5.772; 3.5512
90; 90; 90
97.253Lavina, 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 CIFBa Lu2 S4P n m a12.1143; 3.9556; 14.2781
90; 90; 90
684.2Schurz, 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 CIFBa Lu2 Se4P n m a12.6132; 4.1089; 14.8774
90; 90; 90
771.04Schurz, 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 CIFBa Lu2 Te4P n m a13.5358; 4.3847; 15.9362
90; 90; 90
945.82Schurz, 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 CIFAs6 Ga3 Na8 RbP n m a22.843; 4.7892; 16.861
90; 90; 90
1844.6He, 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 CIFGa3 Na8 P6 RbP n m a22.276; 4.6947; 16.356
90; 90; 90
1710.5He, 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 CIFC16 H10 Au N4 S6 Se2P n m a42.054; 12.3735; 4.276
90; 90; 90
2225Furuta, 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 CIFAs3 Ga Sr3P n m a12.757; 19.268; 6.503
90; 90; 90
1598.4Stoyko, 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 CIFAs3 Ba3 GaP n m a13.3589; 19.9788; 6.8008
90; 90; 90
1815.1Stoyko, 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 CIFBi6 O15 Te2P n m a10.5831; 22.694; 5.3843
90; 90; 90
1293.2Kim, Sun Woo; Chang, Hong Young
Structural Analysis, Characterization, and First-Principles Calculations of Bismuth Tellurium Oxides, Bi6Te2O15
Crystals, 2023, 14, 23
1571379 CIFC5 H6 Cl2 Cu N4P n m a8.71; 6.292; 15.26
90; 90; 90
836.3Yamba, 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 CIFC5 H6 Br2 Cu N4P n m a8.924; 6.3937; 15.626
90; 90; 90
891.6Yamba, 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 CIFC5 H6 Cl2 Cu N4P n m a8.6664; 6.2964; 14.894
90; 90; 90
812.72Yamba, 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 CIFC5 H6 Br2 Cu N4P n m a8.943; 6.4316; 15.2113
90; 90; 90
874.92Yamba, 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 CIFC14 H9 F N2 O SP n a 2122.43; 8.1478; 13.522
90; 90; 90
2471.2Saeed, 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 CIFC15 H15 N O SP n a 219.208; 14.0485; 10.3826
90; 90; 90
1343.08Open; 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 CIFB3 Li O5P n a 218.478; 7.398; 5.22
90; 90; 90
327.4Bubnova, 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 CIFB3 Li O5P n a 218.4386; 7.3725; 5.1954
90; 90; 90
323.22Bubnova, 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 CIFB3 Li O5P n a 218.4524; 7.3868; 5.202
90; 90; 90
324.79Bubnova, 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 CIFB3 Li O5P n a 218.4437; 7.377; 5.189
90; 90; 90
323.22Bubnova, 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 CIFB3 Li O5P n a 218.501; 7.4043; 5.211
90; 90; 90
328Bubnova, 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 CIFB3 Li O5P n a 218.446; 7.3749; 5.175
90; 90; 90
322.34Bubnova, 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 CIFB3 Li O5P n a 218.4605; 7.3809; 5.1703
90; 90; 90
322.87Bubnova, 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 CIFB3 Li O5P n a 218.4453; 7.3653; 5.1564
90; 90; 90
320.74Bubnova, 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 CIFB3 Li O5P n a 218.5109; 7.4112; 5.173
90; 90; 90
326.29Bubnova, 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 CIFCl2 Cu H4 O2P m n a8.0553; 3.7295; 7.3674
90; 90; 90
221.333Boeré, 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 CIFCl2 Cu H4 O2P m n a8.0405; 3.7238; 7.3585
90; 90; 90
220.32Boeré, 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 CIFBa8 Ga14.5 Sn31.5P m -3 n11.68; 11.68; 11.68
90; 90; 90
1593.4Schαfer, 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 CIFC2 H3 Na O2P c c a5.9482; 10.0866; 5.8984
90; 90; 90
353.89Birger Dittrich; Justin Bergmann; Peter Roloff; Guido J. Reiss
New Polymorphs of the Phase-Change Material Sodium Acetate
Crystals, 2018, 8, 213
1566042 CIFC54 H36 F9 N2 O6 PrP c a 2120.1848; 11.9034; 19.6102
90; 90; 90
4711.7Mautner, 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 CIFC22 H17 Cl2 F6 N3 O3P c a 2112.6058; 20.0622; 9.0538
90; 90; 90
2289.7Li, 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 CIFC94 H88 N24 Ni6 O19 S2P b c n15.525; 22.703; 31.993
90; 90; 90
11276.4Zheng, 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 CIFC8 H12 N2 O2P b c n15.072; 7.9873; 6.841
90; 90; 90
823.55Destro, 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 CIFC24 H28 Mn N4 O5P b c n19.2401; 12.1579; 10.1312
90; 90; 90
2369.9Boro, 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 CIFC18 H26 Cu N4 O4P b c n15.6899; 10.7161; 11.3062
90; 90; 90
1900.96Boro, 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 CIFC10 H24 Cl5 Fe N2 O4P b c m6.2717; 12.841; 25.693
90; 90; 90
2069.2Bäcker, 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 CIFAl D5 SrP b c m4.6226; 12.6213; 5.0321
90; 90; 90
293.59Sato, 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 CIFC7 H15 N7P b c a5.9696; 16.7493; 19.0799
90; 90; 90
1907.73Laus, 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 CIFC8 H13 N O SiP b c a11.6876; 24.898; 13.833
90; 90; 90
4025.4Seidel, 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 CIFC51 H47 N9 O14 ZnP b c a14.6426; 20.0946; 32.345
90; 90; 90
9517.1Pook, 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 CIFC16 H17 Cd N9 O S2P b c a14.6614; 15.9147; 18.0194
90; 90; 90
4204.5Soliman, 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 CIFC30 H22 F6 Ir N6 PP b c a10.8324; 16.0987; 31.5748
90; 90; 90
5506.3Stumbo, 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 CIFC6 H3 Br3 N2P b c 217.1109; 7.8014; 15.6397
90; 90; 90
867.61Froschauer, Carmen; Kahlenberg, Volker; Laus, Gerhard; Schottenberger, Herwig
Halogen Interactions in 2,4,5-Tribromoimidazolium Salts
Crystals, 2012, 2, 1017-1033
1508415 CIFBa Sn3P 63/m m c7.2279; 7.2279; 5.469
90; 90; 120
247.44Schαfer, 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 CIFBa In0.2 Sn2.8P 63/m m c7.2604; 7.2604; 5.382
90; 90; 120
245.69Schαfer, 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 CIFK Na O4 SP 63/m m c5.669; 5.669; 7.75
90; 90; 120
215.7Shablinskii, 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 CIFK Na O4 SP 63/m m c5.654; 5.654; 8.353
90; 90; 120
231.25Shablinskii, 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 CIFIn O3 TbP 63 c m6.3088; 6.3088; 12.3067
90; 90; 120
424.195Min, 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 CIFC76 H56 Co2 K N20 O4P 42/n :221.37; 21.37; 7.4607
90; 90; 90
3407.1Tanaka, 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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