Crystallography Open Database

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1000046 CIFCa5 H10 O22 Si6I 1 2/m 15.593; 3.645; 22.45599
90; 96.97; 90		454.4Hoffmann, C; Armbruster, T
Clinotobermorite, Ca5 (Si3 O8 (O H))2 . 4(H2 O) Ca5 (Si6 O17) . 5 (H2 O), a natural C-S-H(I) type cement mineral: determination of the substructure
Zeitschrift fuer Kristallographie (149,1979-), 1997, 212, 863-873
1008058 CIFNi Rh2 Se4I 1 2/m 16.2821; 3.6491; 10.844
90; 92.24; 90		248.4Bouchard, R J
The crystal structure and transport properties of Ni Rh~2~ Se~4~
Inorganic Chemistry, 1969, 8, 850-856
1008079 CIFCr2 Ni S4I 1 2/m 15.94; 3.42; 11.14
90; 91.05; 90		226.3Andron, B; Bertaut, E F
Etude par Diffraction neutronique de Cr~2~ Ni S~4~
Journal de Physique (Paris), 1966, 27, 619-626
1008813 CIFBa1.2 Mg1.2 O16 Ti6.8I 1 2/m 110.227; 14.907; 9.964
90; 90.77; 90		1518.9Fanchon, E.; Vicat, J.; Hodeau, J. L.; Wolfers, P.; Duc Tran Qui; Strobel, P.
Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 Hollandite.
Acta Crystallographica B (39,1983-), 1987, 43, 440-448
1008921 CIFCr3 Se4I 1 2/m 16.299; 3.607; 11.731
90; 91.87; 90		266.4Chevreton, M; Bertaut, F
Etude de seleniures de chrome.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1961, 253, 145-147
1008948 CIFBa1.2 Mg1.2 O16 Ti6.8I 1 2/m 110.227; 2.981; 9.964
90; 90.77; 90		303.7Fanchon, E; Vicat, J; Hodeau, J L; Wolfers, P; Duc Tran Qui; Strobel, P
Commensurate ordering and domains in the Ba1.2 Ti6.8 Mg1.2 O16 hollandite.
Acta Crystallographica B (39,1983-), 1987, 43, 440-448
1010188 CIFCl6 K2 TeI 1 2/m 17.17; 7.17; 10.14
90; 90; 90		521.3Engel, G
Die Kristallstrukturen einiger Hexachlorokomplexsalze.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 90, 341-373
1011146 CIFCa2 H2 Mg5 O24 Si8I 1 2/m 19.78; 17.79999; 5.26
90; 73.97; 90		880.1Warren, B E
The crystal structure and chemical composition of the monoclinic amphiboles.
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1930, 72, 493-516
1011222 CIFCa2 H2 Mg5 O24 Si8I 1 2/m 19.77; 17.79999; 5.26
90; 73.97; 90		879.2Warren, B E
The structure of tremolite H2 Ca2 Mg5 (Si O3)8
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1929, 72, 42-57
1510367 CIFAu2 Br6 Rb2I 1 2/m 18.52; 7.243; 11.21
90; 101.24; 90		678.504Koelmel, M.; Straehle, J.; Gelinek, J.
Ueber den thermischen Abbau einiger Alkalimetall- und Ammoniumhalogenoaurate(III) und die Kristallstruktur der Zersetzungsprodukte Rb2 Au2 Br6, Rb3 Au3 Cl8 und Au (N H3) Cl3
Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 456, 241-460
1510540 CIFAu4 In7 La3I 1 2/m 14.6042; 13.895; 10.396
90; 90; 90		665.088Poettgen, R.; Hoffmann, R.D.; Galadzhun, Ya.V.; Zaremba, V.I.; Kal'ichak, Ya.M.
The Structure of La3 Au4 In7 and its relation to the Ba Al4 Type
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 1773-1777
1510868 CIFB28 Tb1.069I 1 2/m 15.855; 10.3354; 8.2808
90; 89.512; 90		501.084Zhang, F.; Tanaka, T.; Mori, T.
Synthesis and magnetic properties of binary boride RE B25 compounds
Journal of Physics: Condensed Matter, 2001, 13, 423-430
1513977 CIFLi2.72 Mn6.64 O16I 1 2/m 19.834; 2.7846; 10.191
90; 92.27; 90		278.85Botkovitz, P.; Brec, R.; Deniard, P.; Tournoux, M.; Burr, G.
Electrochemical and neutron diffraction study of a prelithiated hollandite-type Lix Mn O2 phase
Molecular Crystals and Liquid Crystals, 1994, 244, 233-238
1515794 CIFC68 H88 Cl2 Ge2 O2I 1 2/m 114.3831; 10.975; 19.628
90; 95.579; 90		3083.7Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1515795 CIFC72 H84 Cl2 Sn2I 1 2/m 114.908; 11.003; 19.38
90; 98.493; 90		3144.1Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
Chemical Science, 2010, 1, 461
1521081 CIFBi18 O42 P4 Pb5I 1 2/m 111.885; 11.54; 15.636
90; 90.23; 90		2144.5Giraud, S.; Steinfink, H.; Swinnea, S.; Wignacourt, J.P.; Harlow, R.
Crystal structure of Pb5 Bi18 P4 O42: a fluorite-related superstructure
Journal of Solid State Chemistry, 2000, 151, 181-189
1521773 CIFCr2.75 Ni0.25 S4I 1 2/m 15.8693; 3.41244; 11.055
90; 91.544; 90		221.336Powell, A.V.; Colgan, D.C.; Ritter, C.
Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4)
Journal of Solid State Chemistry, 1999, 143, 163-173
1521774 CIFCr2.5 Ni0.5 S4I 1 2/m 15.891; 3.41377; 11.101
90; 91.67; 90		223.152Powell, A.V.; Colgan, D.C.; Ritter, C.
Magnetic structure and spin reorientation in the ternary sulfides, Nix Cr3-x S4 (x = 1/4, 1/2, 3/4)
Journal of Solid State Chemistry, 1999, 143, 163-173
1524792 CIFFe3 Ni2 Se4I 1 2/m 16.17; 3.56; 10.94
90; 91.73; 90		240.19Lambert-Andron, B.; Babot, D.; Berodias, G.
Structures magnetiques des composes M Fe2 Se4 (M = Ti, V, Cr, Fe, Co, Ni)
Journal of Physics and Chemistry of Solids, 1972, 33, 87-87
1525987 CIFMn0.55 O1.7 Ta0.45I 1 2/m 13.5005; 3.573; 5.0015
90; 91.677; 90		62.528Esmaeilzadeh, S.; Lidin, S.; Nygren, M.; Grins, J.
Single crystal refinement of the incommensurately modulated Mn0.55 Ta0.45 O1.7, an oxygen deficient fluorite type compound
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 148-159
1526700 CIFD26 Eu6 Mg7I 1 2/m 114.0939; 5.6455; 11.509
90; 90.683; 90		915.673Kohlmann, H.; Bertheville, B.; Hansen, T.; Yvon, K.
High-pressure synthesis of novel europium magnesium hydrides
Journal of Alloys Compd., 2001, 322, 59-68
1526759 CIFBa Ce0.85 O2.925 Y0.15I 1 2/m 16.231; 8.76; 6.214
90; 90.58; 90		339.165Takeuchi, K.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E.; Balachandran, U.
The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping
Solid State Ionics, 2000, 138, 63-77
1526761 CIFBa Ce0.8 O2.9 Y0.2I 1 2/m 16.242; 8.731; 6.23
90; 91.15; 90		339.46Takeuchi, K.; Dorris, S.E.; Loong, C.-K.; Guan, J.; Richardson, J.W.jr.; Balachandran, U.
The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping
Solid State Ionics, 2000, 138, 63-77
1526763 CIFBa Ce0.75 O2.875 Y0.25I 1 2/m 16.239; 8.726; 6.235
90; 91.24; 90		339.363Takeuchi, K.; Loong, C.-K.; Balachandran, U.; Guan, J.; Dorris, S.E.; Richardson, J.W.jr.
The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping
Solid State Ionics, 2000, 138, 63-77
1526768 CIFBa Ce0.7 O2.85 Y0.3I 1 2/m 16.243; 8.725; 6.243
90; 91.54; 90		339.934Takeuchi, K.; Balachandran, U.; Loong, C.-K.; Richardson, J.W.jr.; Guan, J.; Dorris, S.E.
The crystal structures and phase transitions in Y-doped Ba Ce O3: their dependence on Y concentration and hydrogen doping
Solid State Ionics, 2000, 138, 63-77
1526784 CIFC59 Na3.82I 1 2/m 111.24; 11.71; 10.25
90; 96.08; 90		1341.52Kubozono, Y.; Fujiki, S.; Kambe, T.; Takabayashi, Y.; Kashino, S.; Emura, S.
Structure and physical properties of Na4 C60 under ambient and highpressure
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 0454181-0454189
1527085 CIFCr6.665 Te7.998I 1 2/m 16.857; 3.954; 12.272
90; 91.17; 90		332.656Andresen, A.F.
The magnetic structure of Cr2 Te3, Cr3 Te4 and Cr5 Te6
Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 3495-3509
1527086 CIFFe3 Se4I 1 2/m 16.208; 3.541; 11.281
90; 91.807; 90		247.862Andresen, A.F.; van Laar, R.
The magnetic structure of Fe3 Se4
Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 2435-2439
1528320 CIFBa2 H20 K4 Mn Na4 O66 Si16 Ti8I 1 2/m 114.2446; 13.7884; 15.5
90; 116.709; 90		2719.53Armbruster, T.; Krivovichev, S.V.; Organova, N.N.; Weber, T.; Gnos, E.; Yakovenchuk, V.N.; Shlyukova, Z.V.
Origin of diffuse superstructure reflections in labuntsovite-group minerals
American Mineralogist, 2004, 89, 1655-1666
1528499 CIFBa2 Nb Nd O6I 1 2/m 16.07918; 6.04547; 8.53909
90; 90.134; 90		313.824Fu, W.T.; Ijdo, D.J.W.
New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)
Journal of Solid State Chemistry, 2006, 179, 1022-1028
1528503 CIFBa2 La Nb O6I 1 2/m 16.14448; 6.09131; 8.604
90; 90.348; 90		322.024Fu, W.T.; Ijdo, D.J.W.
New insight into the symmetry and the structure of the double perovskites Ba2 Ln Nb O6 (Ln = lanthanides and Y)
Journal of Solid State Chemistry, 2006, 179, 1022-1028
1528560 CIFLa4 O7 PtI 1 2/m 19.7993; 4.0014; 9.4905
90; 91.759; 90		371.956Hansen, T.J.; Macquart, R.B.; zur Loye, H.C.; Smith, M.D.
Crystal growth and structures of three new platinates: Ln3 Na Pt O7 (Ln = La, Nd) and La4 Pt O7
Solid State Sciences, 2007, 9, 785-791
1528637 CIFLa1.667 Mg O6 TaI 1 2/m 15.6304; 5.6226; 7.9434
90; 90.04; 90		251.468Khalyavin, D.D.; Vieira, L.G.; Senos, A.M.R.; Argyriou, D.N.; Gomes, I.T.; Mantas, P.Q.; Ribeiro, J.L.
Structure and dielectric characterization of a new A-site deficient La5/3 Mg Ta O6 perovskite
Journal of Solid State Chemistry, 2007, 180, 41-48
1529095 CIFH0.95 Mo O3I 1 2/m 114.5263; 3.7944; 7.7219
90; 93.727; 90		424.72Adams, S.; Moretzki, O.; Canadell, E.
Global instability index optimisation for the localization of mobile protons
Solid State Ionics, 2004, 168, 281-290
1530968 CIFMo2 S4 VI 1 2/m 15.949; 3.236; 11.67
90; 92.91; 90		224.369Wada, H.; Nozaki, H.; Onoda, M.; Kawada, I.
Phase relations and structure of V3-x Mox S4 (0<x<2)
Journal of Solid State Chemistry, 1986, 63, 369-376
1531183 CIFD26 Mg7 Sr6I 1 2/m 114.254; 5.6711; 11.575
90; 90.588; 90		935.626Bertheville, B.; Kohlmann, H.; Sheptyakov, D.; Yvon, K.
Sr6 Mg7 H26, a new saline high-pressure hydride with (Ba6 Zn7 F26)-type structure
Journal of Alloys Compd., 2003, 356, 128-132
1531989 CIFCl1.16 Fe7.6 H9.56 Ni0.4 O16I 1 2/m 110.587; 3.0311; 10.515
90; 90.03; 90		337.429Post, J.E.; Heaney, P.J.; von Dreele, R.B.; Hanson, J.C.
Neutron and temperature-resolved synchrotron X-ray powder diffraction study of akaganeite
American Mineralogist, 2003, 88, 782-788
1532432 CIFC0.8 B14 Y0.6I 1 2/m 18.278; 10.327; 5.86
90; 90.46; 90		500.937Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Sato, A.; Tanaka, T.; Bando, Y.
Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures
Journal of Alloys Compd., 2002, 337, 120-127
1532433 CIFC4.513 B25 Y1.01I 1 2/m 116.0238; 21.7577; 5.6412
90; 90.182; 90		1966.74Zhang, F.X.; Xu, F.F.; Leithe-Jasper, A.; Mori, T.; Salamakha, P.; Tanaka, T.; Sato, A.; Bando, Y.
Incorporation of carbon atoms in rare earth boron-rich solids and formation of superstructures
Journal of Alloys Compd., 2002, 337, 120-127
1532808 CIFCo0.6 Cr2 Cu0.4 Se4I 1 2/m 16.288; 3.608; 11.728
90; 91.304; 90		266.005Okonska-Kozlowska, I.; Maciazek, E.; Ratuszna, A.
Crystal structure of Cu Cr2 Se4, Cu0.8 Co0.2 Cr2 Se4 and Cu0.4 Co0.6 Cr2 Se4
Applied Crystallography: Proceedings of the XVII International Conference Wisla, Poland 31 August-4 September, 1997, 2001, 18, 54-57
1533416 CIFBi18 O42 P4 Pb5I 1 2/m 111.9539; 11.6004; 15.724
90; 90.25; 90		2180.43Giraud, S.; Obbade, S.; Suard, E.; Wignacourt, J.P.; Steinfink, H.
Structures and ionic conductivities in two fluorite type families: Pb5 Bi17 X5 O43 and Pb5 Bi18 X4 O42 (X = P, V and As)
Solid State Sciences, 2003, 5, 335-341
1533804 CIFBa5.93 O80 Ti40I 1 2/m 19.9942; 14.7851; 10.2655
90; 90.88; 90		1516.7Hoeche, T.; Ruessel, C.; Keding, R.; Olhe, P.; van Aken, P.A.; Schneider, R.; Stemmer, S.; Wang Xiqu; Jacobson, A.J.; Kleebe, H.J.
Synthesis and characterization of mixed-valence barium titanates
Philosophical Magazine, Serie 8(1956-), 2003, 83, 165-178
1534361 CIFCr3 Se4I 1 2/m 16.32; 3.62; 11.77
90; 91.67; 90		269.164Chevreton, M.; Bertaut, E.F.
Etude de seleniures de chrome.
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965), 1961, 253, 145-147
1536345 CIFCs2 Cu3 F10 MgI 1 2/m 17.149; 7.368; 9.404
90; 96.29; 90		492.363Kaiser, V.; Dahlke, P.; Babel, D.
Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M= Mg, Mn, Co, Ni), Varianten des (CsCu2F5)-Typs
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 993-1000
1536349 CIFCs2 Cu3 F10 NiI 1 2/m 17.163; 7.377; 9.382
90; 97.09; 90		491.968Kaiser, V.; Dahlke, P.; Babel, D.
Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 993-1000
1536353 CIFCo Cs2 Cu3 F10I 1 2/m 17.178; 7.391; 9.394
90; 97.49; 90		494.124Kaiser, V.; Dahlke, P.; Babel, D.
Struktur und Magnetismus von Fluoriden Cs2 M Cu3 F10 (M = Mg, Mn, Co, Ni), Varianten des (Cs Cu2 F5) - Typs
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 993-1000
1536800 CIFH11.5 K0.45 Mn Na5.8 Nb0.25 O32 Si10 Ti0.75I 1 2/m 113.033; 18.717; 12.264
90; 99.62; 90		2949.59Yamnova, N.A.; Egorov-Tismenko, Yu.K.; Khomyakov, A.P.
Crystal structure of a new natural (Na, Mn, Ti)-phyllosilicate
Kristallografiya, 1996, 41, 257-262
1537570 CIFFe3 Se4I 1 2/m 16.2; 3.53; 11.26
90; 91.73; 90		246.324Lambert-Andron, B.; Berodias, G.
Etude par diffraction neutronique de Fe3 Se4
Solid State Communications, 1969, 7, 623-629
1541112 CIFBa Bi O3I 1 2/m 16.1908; 6.145; 8.6785
90; 90.164; 90		330.15Pei, S.; Jorgensen, J.D.; Dabrowski, B.; Sinha, S.K.; Vaknin, D.; Mitchell, A.W.; Hinks, D.G.; Richards, D.R.; Newsam, J.M.; Jacobson, A.J.
Structural phase diagram of the Ba1-x Kx Bi O3 system
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1990, 41, 4126-4141
1541113 CIFBa0.9 Bi K0.1 O3I 1 2/m 16.1551; 6.1088; 8.6256
90; 90.077; 90		324.325Pei, S.; Jorgensen, J.D.; Hinks, D.G.; Dabrowski, B.; Jacobson, A.J.; Newsam, J.M.; Richards, D.R.; Mitchell, A.W.; Vaknin, D.; Sinha, S.K.
Structural phase diagram of the Ba1-x Kx Bi O3 system
Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1990, 41, 4126-4141
1541776 CIFC3 H7 Cl N6I 1 2/m 18.5287; 17.0442; 9.1844
90; 92.165; 90		1334.14Jing, H.-P.; Stroebele, M.; Weisser, M.; Meyer, H.J.
Die Kristallstruktur von wasserfreiem Melaminiumchlorid
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 368-370
1544360 CIFIn O6 Sr2 TaI 1 2/m 15.7764; 5.776; 8.1566
90; 90.09; 90		272.14Zhou, Q.; Kennedy, B.J.; Avdeev, M.
Crystal struture and phase transitions in Sr2InTaO6 sample: 600 ?C
Physics and Chemistry of Minerals, 2013, 40, 603-610
1544721 CIFBa0.08 Fe0.15 K1.21 Mn7.85 Na0.44 O16I 1 2/m 19.907; 2.865; 9.676
90; 90.52; 90		274.6Kubo, H.; Miura, H.; Hariya, Y.
Tetragonal-monoclinic transformation of cryptomelane at high temperature
Mineralogical Journal, 1990, 15, 50-63
1550680 CIFC138 H202 F19 N6 O18 S6I 1 2/m 118.9188; 10.3807; 35.7997
90; 97.509; 90		6970.4Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul
Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor
Chemical Science, 2019
1551545 CIFC246 H126 Co6 N8 P6 Te8I 1 2/m 126.5695; 17.056; 21.1219
90; 104.26; 90		9276.9Evan S. O'Brien; M. Tuan Trinh; Rose L. Kann; Jia Chen; Giselle A. Elbaz; Amrita Masurkar; Timothy L. Atallah; Maria V. Paley; Nilam Patel; Daniel W. Paley; Ioannis Kymissis; Andrew C. Crowther; Andrew J. Millis; David R. Reichman; X.-Y. Zhu; Xavier Roy
Single-crystal-to-single-crystal intercalation of a low-bandgap superatomic crystal
Nature Chemistry, 2017, 9, 1170-1174
1557509 CIFC53 H31 Cu2 N O12I 1 2/m 125.8186; 22.6806; 27.2079
90; 109.69; 90		15000.9Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.
On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra
Chemical Science, 2020, 11, 3664-3671
1559160 CIFC12.8 H10 Fe N10 O0.4 PtI 1 2/m 114.8483; 7.1717; 15.88
90; 92.699; 90		1689.1Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A
Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates
Chemical Science, 2020
1559162 CIFC12.8 H10 Fe N10 O0.4 PtI 1 2/m 114.9798; 7.3662; 16.181
90; 91.922; 90		1784.5Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A
Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates
Chemical Science, 2020
1560371 CIFC9 H15 B F4 N6I 1 2/m 110.535; 6.4885; 18.7172
90; 92.323; 90		1278.39Stubbe, Jessica; Suhr, Simon; Beerhues, Julia; Nößler, Maite; Sarkar, Biprajit
The transformations of a methylene-bridged bis-triazolium salt: a mesoionic carbene based metallocage and analogues of TCNE and NacNac
Chemical Science, 2021, 12, 3170-3178
1561443 CIFC60 H90 Al6 Cu7.33I 1 2/m 112.9999; 17.2545; 16.5285
90; 97.741; 90		3673.7Schütz, Max; Gemel, Christian; Muhr, Maximilian; Jandl, Christian; Kahlal, Samia; Saillard, Jean-Yves; Fischer, Roland A.
Exploring Cu/Al cluster growth and reactivity: from embryonic building blocks to intermetalloid, open-shell superatoms.
Chemical science, 2021, 12, 6588-6599
1562683 CIF
HKL		C30 H38 Cu2 N4 O19I 1 2/m 18.8717; 18.8801; 9.9362
90; 100.916; 90		1634.19Nour Dissem; Prabhjyot Kaur; Love Karan Rana; Thierry Maris; Adam Duong
Synthesis, characterization and Hirshfeld surface analysis of a mixed-ligand copper (II) coordination polymer from 1,4,8,11-tetraazacyclotetradecane and pyromellitic dianhydride
Transition Metal Chemistry, 2021, 46, 283-290
1565706 CIFC18 H18 Cl2 Cu N12 O9I 1 2/m 115.599; 10.704; 21.315
90; 105; 90		3438Hua, Zi-Yi; Chen, Chen; Zhou, Fu-Hou; Zhang, Hao; Zhu, Zhao Qiang; Ge, Wei-Wei; Chen, Kai
Anion control in the complexation of cucurbit[6]uril with Cu(II) salts
Inorganica Chimica Acta, 2020, 499, 119183
1567307 CIFC46 H64 N2 O2I 1 2/m 113.809; 8.7376; 17.19
90; 99.585; 90		2045.1Reid, Amelia G.; Moreno, Juan J.; Hooe, Shelby L.; Baugh, Kira R.; Thomas, Isobel H.; Dickie, Diane A.; Machan, Charles W.
Inverse potential scaling in co-electrocatalytic activity for CO2 reduction through redox mediator tuning and catalyst design
Chemical Science, 2022, 13, 9595-9606
1568589 CIFCl2 H12 Ni O6I 1 2/m 16.5628; 7.033; 8.7326
90; 96.723; 90		400.29Boeré, 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
1568590 CIFCl2 H12 Ni O6I 1 2/m 16.5579; 7.0244; 8.7291
90; 96.702; 90		399.36Boeré, 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
1571152 CIFC26 H42 Cl2 N2 Si2I 1 2/m 110.53; 10.929; 12.931
90; 96.525; 90		1478.5Hüßler, Christopher; Dietl, Martin C.; Kahle, Justin; Lopes, Eric F.; Kawamura, Miku; Krämer, Petra; Rominger, Frank; Rudolph, Matthias; Hachiya, Iwao; Hashmi, A Stephen K
Synthesis and structural properties of <i>para</i>-diselenopyrazines.
Chemical communications (Cambridge, England), 2024, 60, 3786-3789
1572374 CIFC2 H9 N3 O3 SI 1 2/m 110.0029; 7.3514; 10.4776
90; 102.8; 90		751.33Li, Yang; Chen, Xinglong; Ok, Kang Min
Strategically designed metal-free deep-ultraviolet birefringent crystals with superior optical properties.
Chemical science, 2024, 15, 15145-15151
1572636 CIFC240 H172 Cl8 N12I 1 2/m 120.1388; 53.4956; 31.8306
90; 106.792; 90		32830.1Stawski, Wojciech; Anderson, Harry Laurence
Polymorphism and flexibility of six-porphyrin nanorings in the solid state
Chemical Science, 2024
1572938 CIFC122 H113 B3 F12 N43 Pd2I 1 2/m 116.859; 23.453; 17.529
90; 90.35; 90		6931Virtue, Jemma I.; Tsoukatos, Steven; Johnston, Martin; Bloch, Witold
Halide-triggered assembly and selective bisulfate recognition in a quadruply interlocked coordination cage
Chemical Science, 2024
2004763 CIF
Paper		C12 H24 Hg I2 O6I 1 2/m 19.236; 11.236; 9.283
90; 90.44; 90		963.3El Essawi, M.; Abd El Khalik, S.; Tebbe, K.-F.
Verfeinerung von Quecksilberdiiodid-(18-Krone-6), Hg(18-krone-6)I~2~
Acta Crystallographica Section C, 1996, 52, 818-820
2011341 CIF
HKL
Paper		C16 H24 Cl2 N2 O4I 1 2/m 111.255; 6.865; 11.953
90; 104.15; 90		895.5Košutić-Hulita, Nada; Danilovski, Aleksandar; Malešević, Miroslav; Orešić, Marina; Dumić, Miljenko
2,8-Dihydroxy-1,3,7,9-tetramethyl-6,12-dihydrodipyrido[1,2-<i>a</i>:1',2'-<i>d</i>]pyrazinediylium dichloride dihydrate
Acta Crystallographica Section C, 2000, 56, 1144-1145
2014172 CIF
Paper		C16 H40 Cl6 N2 Pd2I 1 2/m 18.7249; 12.238; 13.062
90; 91.973; 90		1393.9Fábry, Jan; Dušek, Michal; Fejfarová, Karla; Krupková, Radmila; Vaněk, Přemysl; Němec, Ivan
Two phases of bis(tetraethylammonium) di-μ-chloro-bis[dichloropalladium(II)]
Acta Crystallographica Section C, 2004, 60, m426-m430
2020150 CIFGa10 Ge O20 Pb3I 1 2/m 114.751; 11.695; 5.106
90; 90.23; 90		880.844Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W.
Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20
Acta Crystallographica C (39,1983-), 1983, 39, 921-925
2020151 CIFBa3 Fe10 O20 SnI 1 2/m 115.443; 11.9068; 5.2473
90; 90.945; 90		964.725Cadee, M.C.; Verschoor, G.C.; Ijdo, D.J.W.
Structures of Pb3 Ge Ga10 O20 and Ba3 Sn Fe10 O20
Acta Crystallographica C (39,1983-), 1983, 39, 921-925
2020376 CIFPb4 S13 Sb6I 1 2/m 123.698; 3.98; 24.466
90; 93.9; 90		2302.24Skowron, A.; Brown, I.D.
Refinement of the structure of robinsonite, Pb4 Sb6 S13
Acta Crystallographica C (39,1983-), 1990, 46, 527-531
2100570 CIF
Paper		Ba Bi O3I 1 2/m 16.18505; 6.13219; 8.65846
90; 90.2288; 90		328.395Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2100573 CIF
Paper		Ba2 Bi O6 SbI 1 2/m 16.06777; 6.01862; 8.50818
90; 90.2161; 90		310.713Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi
Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~
Acta Crystallographica Section B, 2006, 62, 537-546
2102519 CIF
Paper		C14 H24 Fe N2 O8I 1 2/m 111.78; 9.734; 8.401
90; 104.05; 90		934.5Prof. Clemente Dore Augusto; Prof. Marzotto Armando
30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
Acta Crystallographica Section B, 2004, 60, 287-292
2103798 CIF
Paper		C8 H12 S8 Tc2I 1 2/m 111.361; 8.303; 8.987
90; 95.25; 90		844.2Clemente, Dore Augusto; Marzotto, Armando
22 Space-group changes
Acta Crystallographica Section B, 2003, 59, 43-50
2104994 CIF
HKL
Paper		C10 H36 N2 Ni O19I 1 2/m 112.37; 12.57; 8.114
90; 101.48; 90		1236.4Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105020 CIF
HKL
Paper		C10 H36 N2 Ni O19I 1 2/m 112.37; 12.57; 8.114
90; 101.48; 90		1236.4Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105021 CIF
HKL
Paper		C10 H36 N2 Ni O19I 1 2/m 112.379; 12.558; 8.12
90; 101.68; 90		1236.2Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt
[Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·2H~2~O: three phase transitions and an intermediate modulated phase stable over a range of <i>ca</i> 40K
Acta Crystallographica Section B, 2011, 67, 486-498
2105964 CIFC2 H2 Ca O5I 1 2/m 19.978; 7.295; 6.292
90; 107.07; 90		437.82Deganello, S
The Structure of Whewellite, CaC~2~O~4~ . H~2~O, at 328 K
Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1981, 37, 826-829
2106074 CIFAg3 H2 O10 P3I 1 2/m 19.326; 10.925; 9.276
90; 106.5; 90		906.18Baur, W.H.; Tillmanns, E.
How to avoid unneccessarily low symmetry in crystal structure determinations
Acta Crystallographica B (39,1983-), 1986, 42, 95-111
2106452 CIFBa2 Bi2 O6I 1 2/m 16.1736; 6.1237; 8.6507
90; 90.29; 90		327.038Thornton, G.; Jacobson, A.J.
A neutron diffraction determination of the structures of Ba2 Sb(V) Bi(III) O6 and Ba2 Bi(V) Bi(III) O6
Acta Crystallographica B (24,1968-38,1982), 1978, 34, 351-354
2106560 CIFBa0.159 Bi0.841 O2.5 TiI 1 2/m 110.6914; 3.7963; 3.3457
90; 92.625; 90		135.652Michiue, Y.; Yamamoto, A.; Onoda, M.; Yamane, H.; Akashi, T.; Sato, A.; Goto, T.
Incommensurate crystallographic shear structure of Ba(x) Bi(2-2x) Ti(4-x) O(11-4x) (x = 0.275)
Acta Crystallographica B (39,1983-), 2005, 61, 145-153
2107011 CIFS13 Sb6 Sn4I 1 2/m 124.31; 3.915; 23.49
90; 94.05; 90		2230.05Jumas, J.C.; Olivier-Fourcade, J.; Philippot, E.; Maurin, M.
Sur le systeme Sn S - Sb2 S3: Etude structurale de Sn4 Sb6 S13
Acta Crystallographica B (24,1968-38,1982), 1980, 36, 2940-2945
2107129 CIFC H4 Ca7 O23 Si6I 1 2/m 110.118; 15.187; 6.626
90; 100.4; 90		1001.44Pluth, J.J.; Smith, J.V.
The crystal structure of scawtite, Ca7 Si6 O18 C O3 (H2 O)2
Acta Crystallographica B (24,1968-38,1982), 1973, 29, 73-80
2107130 CIFAl0.2 Ba0.68 Fe1.3 H Mn6.5 O16.5 Pb0.3I 1 2/m 110.026; 2.8782; 9.729
90; 91.03; 90		280.703Post, J.E.; Buseck, P.R.; von Dreele, R.B.
Symmetry and Cation Displacements in Hollandites: Structure Refinements of Hollandite, Cryptomelane and Priderite
Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1056-1065
2107227 CIFBa1.14 Mg1.14 O16 Ti6.86I 1 2/m 110.1816; 2.9733; 10.0268
90; 90.489; 90		303.53Cheary, R.W.; Squadrito, R.
A structural analysis of barium magnesium hollandites
Acta Crystallographica B (39,1983-), 1989, 45, 205-212
2107229 CIFBa1.33 Mg1.33 O16 Ti6.67I 1 2/m 110.2609; 2.98052; 9.9212
90; 91.072; 90		303.365Cheary, R.W.; Squadrito, R.
A structural analysis of barium magnesium hollandites
Acta Crystallographica B (39,1983-), 1989, 45, 205-212
2206238 CIF
Paper		C21 H14 N6I 1 2/m 111.46; 13.094; 13.563
90; 114.22; 90		1856Conway, Shane P.; Pratt, Albert C.; Long, Conor; Howie, R. Alan
Benzylammonium 2,4-bis(dicyanomethylene)-2,3-dihydroisoindolide
Acta Crystallographica Section E, 2005, 61, o2258-o2260
2206809 CIF
HKL
Paper		Au2 I6 Rb2I 1 2/m 18.725; 7.932; 11.969
90; 99.53; 90		816.9Matsushita, Nobuyuki; Tanaka, Atsushi; Kojima, Norimichi
A three-dimensional iodo-bridged mixed-valence gold(I,III) compound, Rb~2~[Au^I^I~2~][Au^III^I~4~]
Acta Crystallographica Section E, 2005, 61, i201-i203
2212533 CIF
HKL
Paper		C10 H10 Cl4 N2 PdI 1 2/m 16.718; 11.754; 8.015
90; 90.649; 90		632.9Valdés-Martínez, Jesús; Toscano, Rubén A.; Germán-Acacio, Juan Manuel
4,4'-Bipyridinium tetrachloridopalladate(II)
Acta Crystallographica Section E, 2007, 63, m870-m871
2240371 CIF
Paper		C8 H54 Mn2 N2 O43 V10I 1 2/m 113.2434; 9.6402; 17.7628
90; 98.626; 90		2242.1Franco, Maurício P.; Rüdiger, André Luis; Soares, Jaísa F.; Nunes, Giovana G.; Hughes, David L.
Crystal structures of two decavanadates(V) with pentaaquamanganese(II) pendant groups: (NMe~4~)~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·5H~2~O and [NH~3~C(CH~2~OH)~3~]~2~[V~10~O~28~{Mn(H~2~O)~5~}~2~]·2H~2~O
Acta Crystallographica Section E, 2015, 71, 146-150
2310453 CIFCl2 H4 Ni O2I 1 2/m 16.9093; 6.8858; 8.8298
90; 92.246; 90		419.764Morosin, B.
An X-ray diffraction study on nickel(II) chloride dihydrate
Acta Crystallographica (1,1948-23,1967), 1967, 23, 630-634
2310780 CIF
Paper		Bi0.097 Fe1.049 O2.585 Pb0.856I 1 2/m 13.93492; 3.93193; 4.00171
90; 92.603; 90		61.85Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310781 CIF
Paper		Bi0.195 Fe1.046 O2.633 Pb0.763I 1 2/m 13.92822; 3.92661; 4.05202
90; 92.209; 90		62.454Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310782 CIF
Paper		Bi0.292 Fe1.042 O2.675 Pb0.671I 1 2/m 13.92131; 3.91951; 4.09255
90; 91.913; 90		62.866Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143
2310783 CIF
Paper		Bi0.428 Fe1.034 O2.736 Pb0.541I 1 2/m 13.9146; 3.91271; 4.13775
90; 91.554; 90		63.353Batuk, Dmitry; Batuk, Maria; Abakumov, Artem M.; Hadermann, Joke
Synergy between transmission electron microscopy and powder diffraction: application to modulated structures.
Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials, 2015, 71, 127-143

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