Crystallography Open Database

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7043109 CIFNb0.4 O3 Sr0.8 Ti0.6P m -3 m3.928119; 3.928119; 3.928119
90; 90; 90
60.6113Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043106 CIFNb0.4 O3 Sr0.8 Ti0.6P m -3 m3.93076; 3.93076; 3.93076
90; 90; 90
60.7337Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043104 CIFNb0.4 O3 Sr0.8 Ti0.54 Zr0.06P m -3 m3.942582; 3.942582; 3.942582
90; 90; 90
61.2833Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043110 CIFNb0.4 O3 Sr0.8 Ti0.54 Zr0.06P m -3 m3.943; 3.943; 3.943
90; 90; 90
61.3028Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043102 CIFNb0.4 O3 Sr0.8 Ti0.48 Zr0.12P m -3 m3.956674; 3.956674; 3.956674
90; 90; 90
61.9428Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7711109 CIFIn Ru Sc2P 4/m m m3.3026; 3.3026; 7.052
90; 90; 90
76.92Pöttgen, Rainer; Reimann, Maximilian Kai; Kalychak, Yaroslav M.; Hulai, Nataliia; Dolsinis, Nikos; Osthues, Helena; Amirjalayer, Saeed
bcc Superstructures: RE2RuIn with RE = Sc, Y, Dy-Tm and Lu
Dalton Transactions, 2022
7711108 CIFEr2 In RuP 4/m m m3.4487; 3.4487; 7.5107
90; 90; 90
89.329Pöttgen, Rainer; Reimann, Maximilian Kai; Kalychak, Yaroslav M.; Hulai, Nataliia; Dolsinis, Nikos; Osthues, Helena; Amirjalayer, Saeed
bcc Superstructures: RE2RuIn with RE = Sc, Y, Dy-Tm and Lu
Dalton Transactions, 2022
7709408 CIFN2 VI 4/m c m4.3015; 4.3015; 4.9827
90; 90; 90
92.194Asano, Shuto; Niwa, Ken; Sasaki, Takuya; Gaida, Nico Alexander; Hasegawa, Masashi
High pressure synthesis and the valence state of vanadium ions for the novel transition metal pernitride, CuAl2-type VN2
Dalton Transactions, 2022
7049413 CIFEu P SnP 4/n m m4.1239; 4.1239; 8.459
90; 90; 90
143.86Gui, Xin; Finkelstein, Gregory; Graf, David; Wei, Kaya; Zhang, Dongzhou; Baumbach, Ryan; Dera, Przemslaw; Xie, Weiwei
Enhanced Néel Temperature in EuSnP under Pressure
Dalton Transactions, 2019
7049414 CIFEu P SnP 4/n m m4.2229; 4.2229; 8.6314
90; 90; 90
153.92Gui, Xin; Finkelstein, Gregory; Graf, David; Wei, Kaya; Zhang, Dongzhou; Baumbach, Ryan; Dera, Przemslaw; Xie, Weiwei
Enhanced Néel Temperature in EuSnP under Pressure
Dalton Transactions, 2019
7713484 CIFGe6.568 Mn1.437 Re2.563I 41/a m d :15.848876; 5.848876; 4.700312
90; 90; 90
160.795Khalaniya, Roman A.; Verchenko, Valeriy; Bogach, Alexey; Likhanov, Maxim; Shevelkov, Andrei V.
Itinerant ferromagnet Re4−xMnxGe7−δ (x = 0.9–1.5, δ = 0.42–0.44) with incommensurate chimney-ladder structure stabilised at ambient pressure
Dalton Transactions, 2023
7713485 CIFGe6.574 Mn0.91 Re3.09I 41/a m d :15.86034; 5.86034; 4.70446
90; 90; 90
161.568Khalaniya, Roman A.; Verchenko, Valeriy; Bogach, Alexey; Likhanov, Maxim; Shevelkov, Andrei V.
Itinerant ferromagnet Re4−xMnxGe7−δ (x = 0.9–1.5, δ = 0.42–0.44) with incommensurate chimney-ladder structure stabilised at ambient pressure
Dalton Transactions, 2023
7012864 CIFCa2 Cr N3P -15.5565; 5.7202; 6.3282
72.619; 68.012; 63.969
165.39Bailey, Mark S.; DiSalvo, Francis J.
Cr(v)?Cr(v) dimers in Ae4[Cr2N6] (Ae = Ca and Sr)
Dalton Transactions, 2003, 2621
9017441 CIFFe H Li O5 PP -15.3528; 7.2896; 5.1187
109.359; 97.733; 106.359
174.984Marx, N.; Croguennec, L.; Carlier, D.; Wattiaux, A.; Le Cras, F.; Suard, E.; Delmas, C.
The structure of tavorite LiFePO4(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization
Dalton Transactions, 2010, 39, 5108-5116
7711030 CIFB2 O5 ThP 1 21/m 14.2535; 6.8733; 6.3242
90; 106.316; 90
177.446Hao, Yucheng; Murphy, Gabriel L.; Kegler, Philip; Li, Yan; Kowalski, Piotr M.; Blouin, Simon; Zhang, Yang; Wang, Shuao; Robben, Lars; Gesing, Thorsten M.; Alekseev, Evgeny V.
Understanding the role of flux, pressure and temperature on polymorphism in ThB2O5
Dalton Transactions, 2022
7012865 CIFCr N3 Sr2P -15.7183; 5.9536; 6.659
72.718; 68.022; 64.436
187.14Bailey, Mark S.; DiSalvo, Francis J.
Cr(v)?Cr(v) dimers in Ae4[Cr2N6] (Ae = Ca and Sr)
Dalton Transactions, 2003, 2621
7714013 CIFK2 O8 P2 Rb ScP -3 m 15.4662; 5.4662; 7.7027
90; 90; 120
199.32Zhou, Jingfang; Gong, Pifu; Xia, Mingjun; Wu, Qian
Co-substitution Design: A New Glaserite-type Rare-earth Phosphate K2RbSc(PO4)2 with High Structural Tolerance
Dalton Transactions, 2023
7708714 CIFC2 H8 Fe I2 O2P -14.119; 6.285; 7.831
91.64; 92.5; 95.76
201.4Reiß, Andreas; Donsbach, Carsten; Feldmann, Claus
Insights into the naphthalenide-driven synthesis and reactivity of zerovalent iron nanoparticles
Dalton Transactions, 2021
7708870 CIFCu H4 Na2 O8 Se2P -15.1927; 5.9081; 7.5358
103.914; 104.661; 105.325
203.67Huang, Xing; Zhao, Zhiying; Wang, Yanqi; Zhang, Mengsi; He, Zhangzhen
Synthesis, structure and magnetic properties of two new spin-chain compounds Ca2Ni(HSeO3)2(SeO3)2 and Na2Cu(SeO3)2·2H2O
Dalton Transactions, 2021
7713549 CIFC Al Co2 Nd2I m m m4.1168; 6.1131; 8.792
90; 90; 90
221.26Nesterenko, Sergey N.; Tursina, Anna; Kuznetsov, Alexey N.
Extending interstitial tetrelides into carbides: synthesis, crystal, and electronic structure of RE2Co2AlC (RE=La, Pr, Nd)
Dalton Transactions, 2023
7713550 CIFC Al Co2 Pr2I m m m4.129; 6.1152; 8.844
90; 90; 90
223.31Nesterenko, Sergey N.; Tursina, Anna; Kuznetsov, Alexey N.
Extending interstitial tetrelides into carbides: synthesis, crystal, and electronic structure of RE2Co2AlC (RE=La, Pr, Nd)
Dalton Transactions, 2023
7043489 CIFCl3 Cu3 Gd H6 O6P -3 m 16.7982; 6.7982; 5.6062
90; 90; 120
224.38Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao
Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides
Dalton Trans., 2017
7032247 CIFAs4 K N3 O6P 6/m m m5.2425; 5.2425; 9.4865
90; 90; 120
225.79Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz
The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.
Dalton transactions, 2014, 43, 12776-12783
7701847 CIFCr Li Rb S2I 4/m m m4.18; 4.18; 12.9501
90; 90; 90
226.27Sun, Xiaoning; Song, Yangpeng; Deng, Jun; Jin, Shifeng; Chen, Xiaolong
New layered chromium chalcogenides CsLiCrSe2, RbLiCrS2 and CsLiCrS2: structure and properties
Dalton Transactions, 2019
7032248 CIFAs4 K N3 O6P 6/m m m5.2429; 5.2429; 9.5072
90; 90; 120
226.32Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz
The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.
Dalton transactions, 2014, 43, 12776-12783
7043488 CIFCl3 Cu3 H6 O6 SmP -3 m 16.8227; 6.8227; 5.6249
90; 90; 120
226.76Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao
Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides
Dalton Trans., 2017
7032249 CIFAs4 K N3 O6P 6/m m m5.246; 5.246; 9.535
90; 90; 120
227.25Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz
The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.
Dalton transactions, 2014, 43, 12776-12783
7043374 CIFC H N4 O RbP -14.948; 7.1191; 7.4189
67.289; 71.888; 89.451
227.3He, Piao; Wu, Le; Wu, Jin-Ting; Yin, Xin; Gozin, Michael; Zhang, Jian-Guo
Alkali and alkaline earth metal salts of tetrazolone: structurally interesting and excellently thermostable
Dalton Trans., 2017
7032250 CIFAs4 K N3 O6P 6/m m m5.2469; 5.2469; 9.56
90; 90; 120
227.93Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz
The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.
Dalton transactions, 2014, 43, 12776-12783
7032251 CIFAs4 K N3 O6P 6/m m m5.2472; 5.2472; 9.589
90; 90; 120
228.64Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz
The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.
Dalton transactions, 2014, 43, 12776-12783
7032246 CIFAs4 H4 N4 O6P 6/m m m5.2354; 5.2354; 9.6787
90; 90; 120
229.75Guńka, Piotr A; Kraszewski, Karol; Chen, Yu-Sheng; Zachara, Janusz
The structure and energetics of arsenic(iii) oxide intercalated by ionic azides.
Dalton transactions, 2014, 43, 12776-12783
7043490 CIFCl3 Cu3 H6 Nd O6P -3 m 16.8645; 6.8645; 5.6391
90; 90; 120
230.12Sun, Wei; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao
Strong spin frustration and negative magnetization in LnCu3(OH)6Cl3 (Ln = Nd and Sm) with triangular lattices: The effects of lanthanides
Dalton Trans., 2017
7715808 CIFAs4 Li9.33 Si0.67F m -3 m6.131; 6.131; 6.131
90; 90; 90
230.46Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno
The cubic structure of Li3As stabilized by substitution – Li8TtAs4 (Tt = Si, Ge) and Li14TtAs6 (Tt = Si, Ge, Sn) and their lithium ion conductivity
Dalton Transactions, 2024
7713548 CIFC Al Co2 La2I m m m4.1841; 6.1161; 9.091
90; 90; 90
232.64Nesterenko, Sergey N.; Tursina, Anna; Kuznetsov, Alexey N.
Extending interstitial tetrelides into carbides: synthesis, crystal, and electronic structure of RE2Co2AlC (RE=La, Pr, Nd)
Dalton Transactions, 2023
7713241 CIFC7 H6 K N3 O2 SP 14.2204; 6.0284; 9.659
84.14; 80.32; 78.44
236.74Gond, M. K.; Rai, Nilesh; Chandra, Brijesh; Gautam, Vibhav; Garai, Somenath; Butcher, R. J.; Bharty, Manoj K.
Isolation of potassium salt of oxadiazole-2-thione and In Vitro Anticancer Activities of its Cu(II) and Zn(II) complexes against MDA-MB-231 human breast carcinoma cells
Dalton Transactions, 2023
7715809 CIFAs4 Li9.33 Sn0.67F m -3 m6.193; 6.193; 6.193
90; 90; 90
237.52Schmid, Martin; Wegner, Florian; De Giorgi, Claudia; Pielnhofer, Florian; Pfitzner, Arno
The cubic structure of Li3As stabilized by substitution – Li8TtAs4 (Tt = Si, Ge) and Li14TtAs6 (Tt = Si, Ge, Sn) and their lithium ion conductivity
Dalton Transactions, 2024
7701845 CIFCr Cs Li S2I 4/m m m4.26786; 4.26786; 13.2824
90; 90; 90
241.934Sun, Xiaoning; Song, Yangpeng; Deng, Jun; Jin, Shifeng; Chen, Xiaolong
New layered chromium chalcogenides CsLiCrSe2, RbLiCrS2 and CsLiCrS2: structure and properties
Dalton Transactions, 2019
7043105 CIFNb0.4 O3 Sr0.8 Ti0.48 Zr0.12I 4/m c m5.595; 5.595; 7.9158
90; 90; 90
247.8Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7712660 CIFFe1.392 Nb Te3P 1 21/m 17.401; 3.6508; 9.9938
90; 108.874; 90
255.51Verchenko, Valeriy; Stepanova, Anna V.; Bogach, Alexey; Kirsanova, Maria; Shevelkov, Andrei V.
Cleavable crystals, crystal structure, and magnetic properties of the NbFe1+xTe3 layered van der Waals telluride
Dalton Transactions, 2023
7042858 CIFC H4 Cl2 SiP -15.9079; 6.3658; 8.112
103.99; 96.08; 116.596
256.52Wagler, Jörg; Gericke, Robert
Molecular structures of various alkyldichlorosilanes in the solid state
Dalton Trans., 2017
7043111 CIFNb0.4 O3 Sr0.8 Ti0.24 Zr0.36I 4/m c m5.664962; 5.664962; 8.01659
90; 90; 90
257.267Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043103 CIFNb0.4 O3 Sr0.8 Ti0.24 Zr0.36I 4/m c m5.6682; 5.6682; 8.017
90; 90; 90
257.57Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043107 CIFNb0.4 O3 Sr0.8 Ti0.12 Zr0.48I 4/m c m5.694282; 5.694282; 8.077236
90; 90; 90
261.903Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7044476 CIFAg F2P b c n5.476; 8.331; 5.787
90; 90; 90
264Grzelak, A.; Gawraczyński, J.; Jaroń, T.; Kurzydłowski, D.; Mazej, Z.; Leszczyński, P. J.; Prakapenka, V. B.; Derzsi, M.; Struzhkin, V. V.; Grochala, W.
Metal fluoride nanotubes featuring square-planar building blocks in a high-pressure polymorph of AgF2
Dalton Trans., 2017
7002869 CIFAs Ce F2 H4 N O4P 1 21/m 16.7758; 6.0181; 7.1315
90; 113.832; 90
266.009Rouse, Jessica; Weller, Mark T.
Cerium(IV) fluoride and fluoride-arsenate frameworks
Dalton Transactions, 2009, 10330-10337
7043112 CIFNb0.4 O3 Sr0.8 Zr0.6I 4/m c m5.725077; 5.725077; 8.132035
90; 90; 90
266.54Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7043108 CIFNb0.4 O3 Sr0.8 Zr0.6I 4/m c m5.72625; 5.72625; 8.13217
90; 90; 90
266.653Whittle, Thomas A.; Brant, William R.; Hester, James R.; Gu, Qinfen; Schmid, Siegbert
Tailoring phase transition temperatures in perovskites via A-site vacancy generation
Dalton Trans., 2017
7036919 CIF
HKL
Ca2 La Nb O6P 1 21/n 15.61386; 5.86564; 8.11572
90; 90.1608; 90
267.24Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu
Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors
Dalton Transactions, 2015, 44, 18536-18543
7036920 CIF
HKL
Ba0.6 Ca3.4 La2 Nb2 O12P 1 21/n 15.62249; 5.86915; 8.12955
90; 90.1512; 90
268.27Jicheng Zhu; Zhiguo Xia; Yuanyuan Zhang; Maxim S. Molokeev; Quanlin Liu
Structural phase transitions and photoluminescence properties of Eu3+ doped Ca(2-x)BaxLaNbO6 phosphors
Dalton Transactions, 2015, 44, 18536-18543
7012468 CIFC4 H4 O4 ZnC 1 2 17.585; 5.9843; 6.253
90; 108.51; 90
269.15Bowden, Thomas A.; Milton, Heather L.; Slawin, Alexandra M. Z.; Lightfoot, Philip
Hydrothermal syntheses and crystal structures of three zinc succinates: Zn(C4H4O4)-α, Zn(C4H4O4)-β and K2Zn(C4H4O4)2
Dalton Transactions, 2003, 936

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