Crystallography Open Database
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COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1008867 | CIF | Cr2 P | I m m 2 | 6.6097; 10.4023; 6.3371 90; 90; 90 | 435.7 | Artigas, M; Bacmann, M; Fruchart, D; Fruchart, R La structure cristalline de Cr2 P: Distorsion orthorhombique de la structure hexagonale de type Fe2 P Journal of Solid State Chemistry, 1996, 123, 306-312 |
1010278 | CIF | La2 O3 | P 3 2 1 | 3.93; 3.93; 6.12 90; 90; 120 | 81.9 | Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxyden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig), 1926, 123, 134-150 |
1010279 | CIF | Ce2 O3 | P 3 2 1 | 3.88; 3.88; 6.06 90; 90; 120 | 79 | Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig), 1926, 123, 134-150 |
1010280 | CIF | O3 Pr2 | P 3 2 1 | 3.85; 3.85; 6 90; 90; 120 | 77 | Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig), 1926, 123, 134-150 |
1010281 | CIF | Nd2 O3 | P 3 2 1 | 3.84; 3.84; 6.01 90; 90; 120 | 76.7 | Zachariasen, W H Die Kristallstruktur der A-Modifikation von den Sesquioxiden der seltenen Erdmetalle. ( La~2~ O~3~, Ce~2~ O~3~, Pr~2~ O~3~, Nd~2~ O~3~ ) Zeitschrift fuer Physikalische Chemie (Leipzig), 1926, 123, 134-150 |
1010284 | CIF | F2 H Na | R -3 :R | 5.05; 5.05; 5.05 40.03; 40.03; 40.03 | 48 | Andersen, C C; Hassel, O Die Struktur des kristallisierten Natriumhydrofluorids und die Gestalt des Ions H F~2~^-^ Zeitschrift fuer Physikalische Chemie (Leipzig), 1926, 123, 151-159 |
1100312 | CIF | C56 H64 Li2 N2 O2 | P 21 21 21 | 15.141; 15.338; 20.827 90; 90; 90 | 4836.71 | Ahlbrecht, Hubertus; Boche, Gernot; Harms, Klaus; Marsch, Michael; Sommer, Horst Chirale Homoenolat-Äquivalente, IV. Kristallstruktur einer chiralen 1-Aminoallyllithium-Verbindung: dimeres, intramolekular chelatisiertes (3S)-3-Lithio-1-[(S)-2-(methoxymethyl)pyrrolidino]-1,3-diphenylpropen Chemische Berichte, 1990, 123, 1853-1858 |
1100313 | CIF | C26 H29 N O | P -1 | 9.425; 9.49; 12.386 94.741; 97.68; 102.49 | 1064.78 | Priepke, Henning; Brückner, Reinhard; Harms, Klaus Asymmetric Induction in the Wittig-Still Rearrangement of Ethers Containing an Allylic Stereocenter ‒ Diastereocontrol by Allylic Nitrogen Chemische Berichte, 1990, 123, 555-563 |
1100314 | CIF | C20 H28 N2 O4 | P 21 21 21 | 9.939; 8.52; 23.674 90; 90; 90 | 2004.72 | Priepke, Henning; Brückner, Reinhard; Harms, Klaus Asymmetric Induction in the Wittig-Still Rearrangement of Ethers Containing an Allylic Stereocenter ‒ Diastereocontrol by Allylic Nitrogen Chemische Berichte, 1990, 123, 555-563 |
1100316 | CIF | C15 H26 O3 Si | P 1 21 1 | 7.963; 10.014; 12.011 90; 109.22; 90 | 904.39 | Scheuplein, Stefan W.; Kusche, Andreas; Brückner, Reinhard; Harms, Klaus Asymmetric Induction in the [2,3] Witting Rearrangement by Chiral Substituents in the Allyl Moiety: 1,3-Asymmetric Induction Chemische Berichte, 1990, 123, 917-925 |
1509425 | CIF | Ag K2 S4 Sb | P n n 2 | 10.348; 10.522; 7.946 90; 90; 90 | 865.174 | Schimek, G.L.; Wood, P.T.; Pennington, W.T.; Kolis, J.W. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M=K, Rb) Journal of Solid State Chemistry, 1996, 123, 277-284 |
1509518 | CIF | Ag Rb2 S4 Sb | P 1 21/n 1 | 8.229; 10.857; 10.346 90; 91.55; 90 | 923.997 | Kolis, J.W.; Schimek, G.L.; Pennington, W.T.; Wood, P.T. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M=K, Rb) Journal of Solid State Chemistry, 1996, 123, 277-284 |
1509659 | CIF | Ag2 K S4 Sb | I -4 2 m | 6.886; 6.886; 8.438 90; 90; 90 | 400.105 | Pennington, W.T.; Schimek, G.L.; Wood, P.T.; Kolis, J.W. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M= K, Rb) Journal of Solid State Chemistry, 1996, 123, 277-284 |
1509707 | CIF | Ag2 Rb S4 Sb | P 32 2 1 | 6.63; 6.63; 16.7 90; 90; 120 | 635.732 | Schimek, G.L.; Kolis, J.W.; Wood, P.T.; Pennington, W.T. Supercritical ammonia synthesis and characterization of four new alkali metal silver antimony sulfides: M Ag2 Sb S4 and M2 Ag Sb S4 (M= K, Rb) Journal of Solid State Chemistry, 1996, 123, 277-284 |
1510867 | CIF | B28 Fe28 Gd8 | P c c n | 7.051; 7.051; 27.32999 90; 90; 90 | 1358.75 | Givord, D.; Tenaud, P. Refinement of the crystal structure of R(1+e) Fe4 B4 compounds (R= Nd, Gd) Journal of the Less-Common Metals, 1986, 123, 109-116 |
1510967 | CIF | B36 Fe36 Nd10 | P c c n | 7.117; 7.117; 35.06999 90; 90; 90 | 1776.35 | Givord, D.; Tenaud, P. Refinement of the crystal structure of R(1+e) Fe4 B4 compounds (R= Nd, Gd) Journal of the Less-Common Metals, 1986, 123, 109-116 |
1511383 | CIF | B113.76 Fe113.76 Gd28.44 | P 42/n c m :1 | 7.051; 7.051; 27.33 90; 90; 90 | 1358.76 | Moreau, J.M.; Tenaud, P.; Givord, D. Refinement of the crystal structure of R1 + epsilonFe4 B4 compounds (R = Nd, Gd) Journal of the Less-Common Metals, 1986, 123, 109-116 |
1511410 | CIF | B145.76 Fe145.76 Nd36.44 | P 42/n c m :1 | 7.117; 7.117; 35.07 90; 90; 90 | 1776.35 | Tenaud, P.; Givord, D.; Moreau, J.M. Refinement of the crystal structure of R1 + epsilonFe4 B4 compounds (R = Nd, Gd) Journal of the Less-Common Metals, 1986, 123, 109-116 |
1513997 | CIF | Li Mn2 O4 | F d -3 m :2 | 8.2211; 8.2211; 8.2211 90; 90; 90 | 555.64 | Berg, H.; Thomas, J. O. Neutron diffraction study of electrochemically delithiated Li Mn2 O4 spinel Solid State Ionics, 1999, 123, 227-234 |
1513999 | CIF | Li0.74 Mn2 O4 | F d -3 m :2 | 8.144; 8.144; 8.144 90; 90; 90 | 540.1 | Berg, H.; Thomas, J. O. Neutron diffraction study of electrochemically delithiated Li Mn2 O4 spinel Solid State Ionics, 1999, 123, 227-234 |
1514001 | CIF | Li0.28 Mn2 O4 | F d -3 m :2 | 8.043; 8.043; 8.043 90; 90; 90 | 520.3 | Berg, H.; Thomas, J. O. Neutron diffraction study of electrochemically delithiated Li Mn2 O4 spinel Solid State Ionics, 1999, 123, 227-234 |
1520928 | CIF | Li O12 P3 Zr2 | C -1 | 15.0718; 8.8556; 9.1234 89.661; 123.912; 90.429 | 1010.53 | Catti, M.; Stramare, S.; Ibberson, R. Lithium location in NASICON-type Li(+) conductors by neutron diffraction. I. Triclinic alpha'-Li Zr2 (P O4)3 Solid State Ionics, 1999, 123, 173-180 |
1521869 | CIF | La O3 Y | P n a 21 | 6.052; 5.936; 8.512 90; 90; 90 | 305.791 | Ruiz-Trejo, E.; Islam, M.S.; Kilner, J.A. Atomistic simulation of defects and ion migration in La Y O3 Solid State Ionics, 1999, 123, 121-129 |
1522432 | CIF | Gd Mg2 | F d -3 m :1 | 8.575; 8.575; 8.575 90; 90; 90 | 630.525 | Manfrinetti, P.; Gschneidner, K.A.jr. Phase equilibrium in the La-Mg (0-65 at.% Mg) and Gd-Mg systems Journal of the Less-Common Metals, 1986, 123, 267-275 |
1522588 | CIF | P Pr0.68 U0.32 | F m -3 m | 5.798; 5.798; 5.798 90; 90; 90 | 194.91 | Niedzielski, R.; Troc, R.; Schubert, K. Magnetic susceptibility of Pr P, Pr S, Nd P, Nd S, and U1-x Pr(Nd)x P in the paramagnetic region Physica Status Solidi, Sectio B: Basic Research, 1984, 123, 29-34 |
1523522 | CIF | Mn Ni | P 4/m m m | 2.61; 2.61; 3.49 90; 90; 90 | 23.774 | Egorushkin, V.E.; Kulkova, S.E.; Kulkov, S.N. Electronic structure and the theory of phase transformation in Ni Mn Physica B and C (Netherland) (79,1975-), 1983, 123, 61-68 |
1523523 | CIF | Mn Ni | P m -3 m | 2.98; 2.98; 2.98 90; 90; 90 | 26.464 | Egorushkin, V.E.; Kulkov, S.N.; Kulkova, S.E. Electronic structure and the theory of phase transformation in Ni Mn Physica B and C (Netherland) (79,1975-), 1983, 123, 61-68 |
1523524 | CIF | La Ru Sn3 | P m -3 n | 9.773; 9.773; 9.773 90; 90; 90 | 933.434 | Eisenmann, B.; Schaefer, H. Kaefigstrukturen in intermetallischen Verbindungen: zur Kenntnis von La Ru Sn3, Ce Ru Sn3, P Ru Sn3 und Nd Ru Sn3 Journal of the Less-Common Metals, 1986, 123, 89-94 |
1523897 | CIF | Al0.5 Co Ga0.5 | P m -3 m | 2.874; 2.874; 2.874 90; 90; 90 | 23.739 | Ipser, H.; Mikula, A. On the ternary B2-phase in the Al-Co-Ga system Monatshefte fuer Chemie (-108,1977), 1992, 123, 509-513 |
1528121 | CIF | Co0.63 Te | P 63/m m c | 3.847; 3.847; 5.38 90; 90; 120 | 68.954 | Terzieff, P.; Ipser, H. A contribution to the ternary phase diagram Co-Sb-Te Monatshefte fuer Chemie (-108,1977), 1992, 123, 35-42 |
1530043 | CIF | Cl Eu2 P | F m -3 m | 6.106; 6.106; 6.106 90; 90; 90 | 227.651 | Hadenfeldt, C.; Held, W. Darstellung, Eigenschaften und Kristallstrukur der Europium (II)-Phosphidhalogenide Eu2 P Cl, Eu2 P Br und Eu2 P I Journal of the Less-Common Metals, 1986, 123, 25-35 |
1530044 | CIF | Br Eu2 P | R -3 m :H | 4.385; 4.385; 21.9 90; 90; 120 | 364.682 | Hadenfeldt, C.; Held, W. Darstellung, Eigenschaften und Kristallstrukur der Europium (II)-Phosphidhalogenide Eu2 P Cl, Eu2 P Br und Eu2 P I Journal of the Less-Common Metals, 1986, 123, 25-35 |
1530045 | CIF | Eu2 I P | R -3 m :H | 4.445; 4.445; 23.126 90; 90; 120 | 395.708 | Hadenfeldt, C.; Held, W. Darstellung, Eigenschaften und Kristallstrukur der Europium (II)-Phosphidhalogenide Eu2 P Cl, Eu2 P Br und Eu2 P I Journal of the Less-Common Metals, 1986, 123, 25-35 |
1538152 | CIF | Mn Pd Te | F m -3 m | 6.2605; 6.2605; 6.2605 90; 90; 90 | 245.373 | Helmholdt, R.B.; Buschow, K.H.J. A neutron diffraction and magnetization study of Pd Mn Te Journal of the Less-Common Metals, 1986, 123, 169-173 |
1538750 | CIF | Nd P | F m -3 m | 5.682; 5.682; 5.682 90; 90; 90 | 183.444 | Niedzielski, R.; Troc, R. Magnetic susceptibility of Pr P, Pr S, Nd P, Nd S, and U1-x Pr (Nd)x P in the paramagnetic region Physica Status Solidi, Sectio B: Basic Research, 1984, 123, K29-K34 |
1540151 | CIF | Co Ga | P m -3 m | 2.878; 2.878; 2.878 90; 90; 90 | 23.838 | Ipser, H.; Mikula, A. On the ternary B2 -phase in the Al - Co - Ga system Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1992, 123, 509-513 |
1541039 | CIF | Co Sb | P 63/m m c | 3.9; 3.9; 5.172 90; 90; 120 | 68.127 | Terzieff, P.; Ipser, H. A contribution to the ternary phase diagram Co - Sb - Te Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1992, 123, 35-42 |
1544379 | CIF | Fe O4 V | C m c m | 5.6284; 8.2724; 6.1118 90; 90; 90 | 284.57 | Oka, Y.; Yao, T.; Yamamoto, N.; Ueda, Y.; Kawasaki, S.; Azuma, M.; Takano, M. Hydrothermal synthesis, crystal structure, and magnetic properties of FeVO4-II Journal of Solid State Chemistry, 1996, 123, 54-59 |
1544474 | CIF | Li2 Mn O3 | C 1 2/m 1 | 4.9329; 8.5351; 5.026 90; 109.314; 90 | 199.7 | Nakao, Y.; Ozawa, K.; Nemoto, Y.; Uesugi, F.; Fujii, H.; Mochiku, T. Structural variation of Li2MnO3 during charge-discharge cycling Journal of the Ceramic Society of Japan, 2015, 123, 589-594 |
1551027 | CIF | C18 H27.88 F N3 O3.94 | P 21 21 21 | 8.5837; 12.3394; 19.5795 90; 90; 90 | 2073.82 | Fischer, Joshua L.; Elvir, Brayan R.; DeLucia, Sally-Ann; Blodgett, Karl N.; Zeller, Matthias; Kubasik, Matthew A.; Zwier, Timothy S. Single-Conformation Spectroscopy of Capped Aminoisobutyric Acid Dipeptides: The Effect of C-Terminal Cap Chromophores on Conformation. The journal of physical chemistry. A, 2019, 123, 4178-4187 |
1552723 | CIF | C16 H12 O | P 1 21/n 1 | 8.3193; 16.3409; 9.4115 90; 113.866; 90 | 1170.04 | Philip, Abbey M.; Gudem, Mahesh; Sebastian, Ebin; Hariharan, Mahesh Decoding the Curious Tale of Atypical Intersystem Crossing Dynamics in Regioisomeric Acetylanthracenes. The journal of physical chemistry. A, 2019, 123, 6105-6112 |
1552724 | CIF | C26 H18 F3 I3 N O P | P -1 | 13.6994; 18.2829; 20.3552 115.988; 92.951; 108.684 | 4229.62 | Xu, Yijue; Gabidullin, Bulat; Bryce, David L. Single-Crystal NMR Characterization of Halogen Bonds. The journal of physical chemistry. A, 2019, 123, 6194-6209 |
1552725 | CIF | C4 H4 I2 N2 O | P -1 | 4.5247; 9.3311; 10.6259 65.332; 81.052; 85.766 | 402.71 | Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A, 2019, 123, 7113-7123 |
1552726 | CIF | C6 H7 I2 N O | P -1 | 8.1349; 8.1507; 8.5804 105.23; 115.097; 98.513 | 474.7 | Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A, 2019, 123, 7113-7123 |
1552727 | CIF | C13 H8 Cl I2 N O | P -1 | 10.2279; 12.2184; 12.5067 112.438; 101.82; 98.066 | 1372.1 | Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A, 2019, 123, 7113-7123 |
1552728 | CIF | C6 H7 I2 N O | P 1 21/n 1 | 8.2601; 8.6523; 13.4871 90; 95.264; 90 | 959.84 | Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A, 2019, 123, 7113-7123 |
1552729 | CIF | C8 H6 I2 N2 O | P 1 21/n 1 | 4.4017; 19.811; 11.9038 90; 95.818; 90 | 1032.7 | Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A, 2019, 123, 7113-7123 |
1552730 | CIF | C7 H10 I2 N2 O | P -1 | 8.2802; 8.425; 9.0335 87.808; 71.668; 67.28 | 549.28 | Borley, William; Watson, Brandon; Nizhnik, Yakov P.; Zeller, Matthias; Rosokha, Sergiy V. Complexes of Diiodine with Heteroaromatic <i>N</i>-Oxides: Effects of Halogen-Bond Acceptors in Halogen Bonding. The journal of physical chemistry. A, 2019, 123, 7113-7123 |
1552731 | CIF | C30 H44 Cl2 N4 Pt | P 1 21/c 1 | 13.9644; 8.6246; 14.0947 90; 117.997; 90 | 1498.9 | Bullock, James D.; Valandro, Silvano R.; Sulicz, Amanda N.; Zeman, 4th, Charles J; Abboud, Khalil A.; Schanze, Kirk S. Blue Phosphorescent <i>trans</i>-N-Heterocyclic Carbene Platinum Acetylides: Dependence on Energy Gap and Conformation. The journal of physical chemistry. A, 2019, 123, 9069-9078 |
1552732 | CIF | C8 H6 O4 | P 1 21/n 1 | 3.7157; 5.5117; 16.3825 90; 93.399; 90 | 334.92 | Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes). The journal of physical chemistry. A, 2019, 123, 8674-8689 |
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