Crystallography Open Database

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7038071 CIFS2 SnP -3 m 13.5074; 3.5074; 4.978
90; 90; 120
53.03Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7707106 CIFN5 Na2P 1 m 14.781; 2.5873; 4.934
90; 119.6; 90
53.1Bykov, Maxim; Bykova, Elena; Chariton, Stella; Prakapenka, Vitali B.; Batyrev, Iskander G.; Mahmood, Mohammad F.; Goncharov, Alexander F.
Stabilization of pentazolate anions in the high-pressure compounds Na<sub>2</sub>N<sub>5</sub> and NaN<sub>5</sub> and in the sodium pentazolate framework NaN<sub>5</sub>·N<sub>2</sub>.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 7229-7237
7038077 CIFS2 SnP -3 m 13.5272; 3.5272; 5.026
90; 90; 120
54.15Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038075 CIFS2 SnP -3 m 13.5343; 3.5343; 5.068
90; 90; 120
54.82Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7020138 CIFCa H2 O2P -3 m 13.59247; 3.59247; 4.9082
90; 90; 120
54.858Nielsen, Renie Birkedal; Norby, Poul; Kongshaug, Kjell Ove; Fjellvåg, Helmer
Synthesis, crystal structure and thermal properties of Ca6(C12H14O4)4(CO3)(OH)2(H2O)x‒a 3D inorganic hybrid material.
Dalton transactions (Cambridge, England : 2003), 2012, 41, 12082-12089
7038076 CIFS2 SnP -3 m 13.5362; 3.5362; 5.1
90; 90; 120
55.23Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038078 CIFS2 SnP -3 m 13.5388; 3.5388; 5.175
90; 90; 120
56.12Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038072 CIFS2 SnP -3 m 13.5455; 3.5455; 5.257
90; 90; 120
57.23Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038082 CIFS2 SnP -3 m 13.5605; 3.5605; 5.317
90; 90; 120
58.37Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038074 CIFS2 SnP -3 m 13.5766; 3.5766; 5.393
90; 90; 120
59.75Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038081 CIFS2 SnP -3 m 13.5983; 3.5983; 5.494
90; 90; 120
61.6Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038070 CIFS2 SnP -3 m 13.6067; 3.6067; 5.544
90; 90; 120
62.46Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038069 CIFS2 SnP -3 m 13.6215; 3.6215; 5.65
90; 90; 120
64.17Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038080 CIFS2 SnP -3 m 13.6339; 3.6339; 5.7322
90; 90; 120
65.55Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038073 CIFS2 SnP -3 m 13.639; 3.639; 5.7853
90; 90; 120
66.35Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7038079 CIFS2 SnP -3 m 13.6456; 3.6456; 5.8934
90; 90; 120
67.832Filsø, M Ø; Eikeland, E.; Zhang, J.; Madsen, S. R.; Iversen, B. B.
Atomic and electronic structure transformations in SnS2 at high pressures: a joint single crystal X-ray diffraction and DFT study.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 3798-3805
7033669 CIFBa Co O2.22P m -3 m4.0868; 4.0868; 4.0868
90; 90; 90
68.257Mentré, Olivier; Iorgulescu, Mihaela; Huvé, Marielle; Kabbour, Houria; Renaut, Nicolas; Daviero-Minaud, Sylvie; Colis, Silviu; Roussel, Pascal
BaCoO2.22: the most oxygen-deficient certified cubic perovskite.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 10728-10737
7030418 CIFCu0.56 P2 Si1.44I -4 m 23.6953; 3.6953; 5.225
90; 90; 90
71.35Wang, Peng; Ahmadpour, Faraz; Kolodiazhnyi, Taras; Kracher, Alfred; Cranswick, Lachlan M. D.; Mozharivskyj, Yurij
Composition, structure, bonding and thermoelectric properties of "CuT2P3" and "CuT4P3", members of the T(1-x)(CuP3)x series with T being Si and Ge.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 1105-1112
7707104 CIFN5 NaP m n 215.455; 2.836; 5.662
90; 90; 90
87.6Bykov, Maxim; Bykova, Elena; Chariton, Stella; Prakapenka, Vitali B.; Batyrev, Iskander G.; Mahmood, Mohammad F.; Goncharov, Alexander F.
Stabilization of pentazolate anions in the high-pressure compounds Na<sub>2</sub>N<sub>5</sub> and NaN<sub>5</sub> and in the sodium pentazolate framework NaN<sub>5</sub>·N<sub>2</sub>.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 7229-7237
7037053 CIFF La OP 4/n m m :14.0847; 4.0847; 5.8295
90; 90; 90
97.264Dabachi, Jamal; Body, Monique; Dittmer, Jens; Fayon, Franck; Legein, Christophe
Structural refinement of the RT LaOF phases by coupling powder X-Ray diffraction, (19)F and (139)La solid state NMR and DFT calculations of the NMR parameters.
Dalton transactions (Cambridge, England : 2003), 2015, 44, 20675-20684
7040217 CIFSnI 41/a m d :25.8323; 5.8323; 3.1823
90; 90; 90
108.25Allison, M. C.; Avdeev, M.; Schmid, S.; Liu, S.; Söhnel, T; Ling, C. D.
Synthesis, structure and geometrically frustrated magnetism of the layered oxide-stannide compounds Fe(Fe3-xMnx)Si2Sn7O16.
Dalton transactions (Cambridge, England : 2003), 2016, 45, 9689-9694
7701897 CIFMn O6 Sn TeP -3 1 m5.23064; 5.23064; 4.62476
90; 90; 120
109.58Nalbandyan, V. B.; Evstigneeva, M. A.; Vasilchikova, T. M.; Bukhteev, K. Yu; Vasiliev, A. N.; Zvereva, E. A.
Trigonal layered rosiaite-related antiferromagnet MnSnTeO<sub>6</sub>: ion-exchange preparation, structure and magnetic properties.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 14760-14766
7014524 CIFBa F6 ThP 63/m m c4.217; 4.217; 7.431
90; 90; 120
114.44Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014536 CIFBa F6 ThP 63/m m c4.217; 4.217; 7.431
90; 90; 120
114.44Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014521 CIFBa F6 ThP 63/m m c4.255; 4.255; 7.498
90; 90; 120
117.56Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014527 CIFBa F6 ThP 63/m m c4.255; 4.255; 7.498
90; 90; 120
117.56Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014533 CIFBa F6 ThP 63/m m c4.255; 4.255; 7.498
90; 90; 120
117.56Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014520 CIFBa F6 ThP 63/m m c4.286; 4.286; 7.557
90; 90; 120
120.22Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014526 CIFBa F6 ThP 63/m m c4.286; 4.286; 7.557
90; 90; 120
120.22Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014532 CIFBa F6 ThP 63/m m c4.286; 4.286; 7.557
90; 90; 120
120.22Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014522 CIFBa F6 ThP 63/m m c4.29; 4.29; 7.56
90; 90; 120
120.49Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014528 CIFBa F6 ThP 63/m m c4.29; 4.29; 7.56
90; 90; 120
120.49Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014534 CIFBa F6 ThP 63/m m c4.29; 4.29; 7.56
90; 90; 120
120.49Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014523 CIFBa F6 ThP 63/m m c4.293; 4.293; 7.568
90; 90; 120
120.79Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014529 CIFBa F6 ThP 63/m m c4.293; 4.293; 7.568
90; 90; 120
120.79Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014535 CIFBa F6 ThP 63/m m c4.293; 4.293; 7.568
90; 90; 120
120.79Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014525 CIFBa F6 ThP 63/m m c4.296; 4.296; 7.571
90; 90; 120
121.01Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014531 CIFBa F6 ThP 63/m m c4.296; 4.296; 7.571
90; 90; 120
121.01Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7014537 CIFBa F6 ThP 63/m m c4.296; 4.296; 7.571
90; 90; 120
121.01Friese, Karen; Morgenroth, Wolfgang; Posse, José Maria; Grzechnik, Andrzej
Disorder in BaThF(6)- refinement of anharmonic displacement parameters from high-pressure single-crystal X-ray diffraction data.
Dalton transactions (Cambridge, England : 2003), 2011, 40, 1902-1910
7047502 CIFGe O6 Pb TeP 3 1 m5.131; 5.131; 5.486
90; 90; 120
125.1Jia, Zhen; Jiang, Xingxing; Lin, Zheshuai; Xia, Mingjun
PbTeGeO<sub>6</sub>: polar rosiaite-type germanate featuring a two dimensional layered structure.
Dalton transactions (Cambridge, England : 2003), 2018, 47, 16388-16392
7715583 CIFNb O3 RbA m m 23.99374; 5.8217; 5.8647
90; 90; 90
136.356Yamamoto, Ayako; Murase, Kimitoshi; Sato, Takeru; Sugiyama, Kazumasa; Kawamata, Toru; Inaguma, Yoshiyuki; Yamaura, Jun-Ichi; Shitara, Kazuki; Yokoi, Rie; Moriwake, Hiroki
Crystal structure and properties of perovskite-type rubidium niobate, a high-pressure phase of RbNbO<sub>3</sub>.
Dalton transactions (Cambridge, England : 2003), 2024, 53, 7044-7052
7706422 CIFB2 Ba Be2 F2 O6 ZnP -34.5998; 4.5998; 7.7037
90; 90; 120
141.16Guo, Ruixin; Liu, Xiaomeng; Tao, Ce; Tang, Changcheng; Xia, Mingjun; Liu, Lijuan; Lin, Zheshuai; Wang, Xiaoyang
BaZnBe<sub>2</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>: a novel zinc-beryllium borate with SBBO-type structure overcoming the polymorphism problem.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 2138-2142
7030421 CIFCu1.08 P3 Si3.92F -4 3 m5.2413; 5.2413; 5.2413
90; 90; 90
143.98Wang, Peng; Ahmadpour, Faraz; Kolodiazhnyi, Taras; Kracher, Alfred; Cranswick, Lachlan M. D.; Mozharivskyj, Yurij
Composition, structure, bonding and thermoelectric properties of "CuT2P3" and "CuT4P3", members of the T(1-x)(CuP3)x series with T being Si and Ge.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 1105-1112
7707608 CIFHo O4 TaP 1 2/c 15.1145; 5.45546; 5.30199
90; 96.4704; 90
146.994Mullens, Bryce G.; Avdeev, Maxim; Brand, Helen E. A.; Mondal, S.; Vaitheeswaran, G.; Kennedy, Brendan J.
Insights into the structural variations in SmNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> and HoNb<sub>1-<i>x</i></sub>Ta<sub><i>x</i></sub>O<sub>4</sub> combined experimental and computational studies.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 9103-9117
7714620 CIFC2 Na2 O5P 1 21 12.9064; 5.4219; 9.6871
90; 94.99; 90
152.07Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Brüning, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn
High-pressure synthesis of acentric sodium pyrocarbonate, Na<sub>2</sub>[C<sub>2</sub>O<sub>5</sub>].
Dalton transactions (Cambridge, England : 2003), 2023, 53, 40-44
7030420 CIFCu1.18 Ge3.63 P3.19F -4 3 m5.3934; 5.3934; 5.3934
90; 90; 90
156.89Wang, Peng; Ahmadpour, Faraz; Kolodiazhnyi, Taras; Kracher, Alfred; Cranswick, Lachlan M. D.; Mozharivskyj, Yurij
Composition, structure, bonding and thermoelectric properties of "CuT2P3" and "CuT4P3", members of the T(1-x)(CuP3)x series with T being Si and Ge.
Dalton transactions (Cambridge, England : 2003), 2010, 39, 1105-1112
7714622 CIFC2 Na2 O5P 1 21 12.9694; 5.4964; 9.7458
90; 94.9451; 90
158.469Spahr, Dominik; Bayarjargal, Lkhamsuren; Bykov, Maxim; Brüning, Lukas; Reuter, Tim H.; Milman, Victor; Liermann, Hanns-Peter; Winkler, Björn
High-pressure synthesis of acentric sodium pyrocarbonate, Na<sub>2</sub>[C<sub>2</sub>O<sub>5</sub>].
Dalton transactions (Cambridge, England : 2003), 2023, 53, 40-44
7700358 CIFFe S2P a -35.4178; 5.4178; 5.4178
90; 90; 90
159.026Zuñiga-Puelles, E; Cardoso-Gil, R; Bobnar, M.; Veremchuk, I.; Himcinschi, C.; Hennig, C.; Kortus, J.; Heide, G.; Gumeniuk, R.
Structural stability and thermoelectric performance of high quality synthetic and natural pyrites (FeS<sub>2</sub>).
Dalton transactions (Cambridge, England : 2003), 2019, 48, 10703-10713
7704393 CIFAg Eu F SeP 4/n m m :24.15427; 4.15427; 9.2183
90; 90; 90
159.089Plokhikh, Igor V.; Tsirlin, Alexander A.; Heletta, Lukas; Klenner, Steffen; Charkin, Dmitri O.; Kuznetsov, Alexey N.; Shevelkov, Andrei V.; Pöttgen, Rainer; Pfitzner, Arno
Synthesis, electronic structure and physical properties of two new layered compounds, EuFAgSe and EuFAg<sub>1-δ</sub>Te, featuring the active redox pair Eu<sup>2+</sup>/Ag<sup/>.
Dalton transactions (Cambridge, England : 2003), 2020, 49, 7426-7435
7708515 CIFB2 Ba F2 O6 Zn3P -34.89; 4.89; 7.7146
90; 90; 120
159.76Qiu, Haotian; Xia, Ming; Cai, Wenbing; Yang, Zhihua; Liu, Yanli; Mutailipu, Miriding; Pan, Shilie
BaZn<sub>3</sub>(BO<sub>3</sub>)<sub>2</sub>F<sub>2</sub>: a new beryllium-free zincoborate with a KBBF-type structure.
Dalton transactions (Cambridge, England : 2003), 2021, 50, 13216-13219

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