Crystallography Open Database
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Searching space group like 'P -4 21 m'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000048 | CIF | Al2 Ca2 O7 Si | P -4 21 m | 7.685; 7.685; 5.0636 90; 90; 90 | 299.1 | Swainson, I P; Dove, M T; Schmahl, W W; Putnis, A Neutron Diffraction Study of the Akermanite-Gehlenite Solid Solution Series Physics and Chemistry of Minerals (Germany), 1992, 19, 185-195 |
1000068 | CIF | Li Nb O6 W | P -4 21 m | 4.6819; 4.6819; 9.2757 90; 90; 90 | 203.3 | Fourquet, J L; Le Bail, A; Gillet, P A Li Nb W O~6~: Crystal structure of its two allotropic forms Materials Research Bulletin, 1988, 23, 1163-1170 |
1000069 | CIF | Li Nb O6 W | P -4 21 m | 4.6818; 4.6818; 9.2754 90; 90; 90 | 203.3 | Fourquet, J L; Le Bail, A; Gillet, P A Li Nb W O~6~: Crystal structure of its two allotropic forms Materials Research Bulletin, 1988, 23, 1163-1170 |
1007103 | CIF | Al3 Ca La O7 | P -4 21 m | 7.81; 7.81; 5.17 90; 90; 90 | 315.3 | Durif, A; Forrat, F Gallates et aluminates isomorphes de la Gehlenite Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1958, 81, 107-109 |
1008775 | CIF | C H4 N2 O | P -4 21 m | 5.576; 5.576; 4.692 90; 90; 90 | 145.9 | Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K Zeitschrift fuer Kristallographie (149,1979-), 1980, 153, 237-254 |
1008776 | CIF | C H4 N2 O | P -4 21 m | 5.661; 5.661; 4.712 90; 90; 90 | 151 | Worsham, J E jr.; Levy, H A; Peterson, S W The positions of hydrogen atoms in urea by neutron diffraction Acta Crystallographica (1,1948-23,1967), 1957, 10, 319-323 |
1008785 | CIF | C H4 N2 O | P -4 21 m | 5.645; 5.645; 4.704 90; 90; 90 | 149.9 | Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K Zeitschrift fuer Kristallographie (149,1979-), 1980, 153, 237-254 |
1008786 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.695 90; 90; 90 | 146.1 | Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K Zeitschrift fuer Kristallographie (149,1979-), 1980, 153, 237-254 |
1008787 | CIF | C H4 N2 O | P -4 21 m | 5.572; 5.572; 4.686 90; 90; 90 | 145.5 | Guth, H; Heger, G; Klein, S; Treutmann, W; Scheringer, C Strukturverfeinerung von Harnstoff mit Neutronenbeugungsdaten bei 60, 123, 293 K und X-N- und X-X (1S2)-Synthesen bei etwa 100 K Zeitschrift fuer Kristallographie (149,1979-), 1980, 153, 237-254 |
1010215 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.73; 7.73; 5.01 90; 90; 90 | 299.4 | Warren, B E The Structure of Melitite (Ca, Na)~2~ (Mg, Al)~1~ (Si, Al)~2~ O~7~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1930, 74, 131-138 |
1011002 | CIF | Al2 Ca2 O7 Si | P -4 21 m | 7.69; 7.69; 5.1 90; 90; 90 | 301.6 | Raaz, F Ueber den Feinbau des Gehlenit. Ein Beitrag zur Kenntnis der Melilithe Sitzungsberichte der Akademie der Wissenschaften in Wien, Mathematisch- Naturwissenschaftliche Klasse, Abteilung 1: Mineralogie, Biologie, Erdkunde, 1930, 139, 645-672 |
1011059 | CIF | Al4 H10 O25 Si6 Tl4 | P -4 21 m | 10; 10; 6.65 90; 90; 90 | 665 | Taylor, W H An X-ray examination of substituted Edingtonites. Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968), 1935, 24, 208-240 |
1011252 | CIF | Ca2 O7 Si2 Zn | P -4 21 m | 7.846; 7.846; 5 90; 90; 90 | 307.8 | Warren, B E; Trautz, O R The Structure of Hardystonite Ca2 Zn Si2 O7 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1930, 75, 525-528 |
1100499 | CIF | C28 H20 Cl I4 P | P -4 21 m | 14.434; 14.434; 7.147 90; 90; 90 | 1489.01 | Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I Chemische Berichte, 1996, 129, 259-262 |
1100500 | CIF | C28 H20 Br I4 P | P -4 21 m | 14.499; 14.499; 7.167 90; 90; 90 | 1506.65 | Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I Chemische Berichte, 1996, 129, 259-262 |
1100501 | CIF | C28 H20 I5 P | P -4 21 m | 14.618; 14.618; 7.123 90; 90; 90 | 1522.08 | Ghassemzadeh, Mitra; Harms, Klaus; Dehnicke, Kurt Komplexe von Halogenid-Ionen mit Diiodacetylen. Die Kristallstrukturen von PPh~4~[X(I-C≡C-I)~2~] mit X = Cl, Br, I Chemische Berichte, 1996, 129, 259-262 |
1503788 | CIF | C42 H52 O18 S4 | P -4 21 m | 18.02; 18.02; 7.3542 90; 90; 90 | 2388.1 | Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing One-pot formation and characterization of macrocyclic aromatic tetrasulfonates. Organic letters, 2009, 11, 923-926 |
1518139 | CIF | C40 H60 Cu3 K N8 O54 Ru Si W11 | P -4 21 m | 24.415; 24.415; 15.337 90; 90; 90 | 9142 | Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation Chem. Sci., 2015, 6, 1035 |
1519739 | CIF | C10 H22 Se Sn2 | P -4 21 m | 10.6034; 10.6034; 6.3943 90; 90; 90 | 718.92 | Skabara, Peter J.; Coles, Simon J.; Hursthouse, Michael B. C10H22SeSn2 Crystal Structure Report Archive, 2004, 1005 |
1521830 | CIF | Ta83.03 Te60 V13.97 | P -4 21 m | 27.3569; 27.3569; 10.33 90; 90; 90 | 7730.97 | Reich, C.; Conrad, M.; Krumreich, F.; Harbrecht, B. The dodecagonal quasicrystalline telluride (Ta, V)1.6 Te and its crystalline approximant (Ta, V)97 Te60 Materials Research Society Symposia Proceedings, 1999, 553, 83-94 |
1522252 | CIF | P6 Rh7 Sr2 | P -4 21 m | 11.08; 11.08; 4.098 90; 90; 90 | 503.097 | Wurth, A.; Mewis, A. Synthese und Kristallstruktur von Sr2 Rh7 P6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 1486-1488 |
1522348 | CIF | Gd1.954 Mo3 Nd0.046 O12 | P -4 21 m | 7.3556; 7.3556; 10.685 90; 90; 90 | 578.11 | Zou, Y.-Q.; Chen, L.; Gao, X.-Y.; Tang, D.-Y.; Luo, Z.-D. Crystal structure of P4-21m phase Nd(3+): Gd2 (Mo O4)3 Jiegon Huaxue, 1999, 18, 447-450 |
1524617 | CIF | Ca1.96 Eu0.04 Mg O7 Si | P -4 21 m | 7.836; 7.836; 5.0087 90; 90; 90 | 307.549 | Jiang Ling; Chang Chen-Kang; Mao Dali; Feng Chuan-Li Concentration quenching of Eu(2+) in Ca2 Mg Si2 O7 : Eu(2+) phosphor Materials Science and Engineering B, 2003, 103, 271-275 |
1525683 | CIF | Al0.07 Ca1.85 Fe0.02 Mg0.03 Mn0.04 Na0.14 O7 Pb0.01 Si2 Zn0.85 | P -4 21 m | 7.8; 7.8; 5 90; 90; 90 | 304.2 | Bindi, L.; Roethlisberger, F.; Czank, M.; Bonazzi, P. Hardystonite from Franklin Furnace: a natural modulated melilite American Mineralogist, 2001, 86, 747-751 |
1525725 | CIF | Be2 F7 Li Na2 | P -4 21 m | 7.593; 7.593; 4.841 90; 90; 90 | 279.101 | Brunton, G. The crystal structure of Na2 Li Be2 F7 Materials Research Bulletin, 1972, 7, 641-646 |
1525760 | CIF | Eu16 Sb11 | P -4 21 m | 12.674; 12.674; 11.72 90; 90; 90 | 1882.59 | Chan, J.Y.; Olmstead, M.M.; Hope, H.; Kauzlarich, S.M. Synthesis, structure, and properties of Eu16 Sb11 and Eu16 Bi11 Journal of Solid State Chemistry, 2000, 155, 168-176 |
1526683 | CIF | W | P -4 21 m | 12.205; 12.205; 3.774 90; 90; 90 | 562.183 | Steadman, R. On the structure of tetragonal Tin-Tungsten bronzes Materials Research Bulletin, 1972, 7, 1143-1150 |
1526816 | CIF | Cd Mo O6 Te | P -4 21 m | 5.284; 5.284; 9.0595 90; 90; 90 | 252.947 | Laligant, Y. X-ray and TEM studies of Cd Te Mo O6 and Co Te Mo O6: a new superstructure of fluorite type with cation and anion deficiencies ((vac) Co Te Mo) ((vac)2 O6) Journal of Solid State Chemistry, 2001, 160, 401-408 |
1527783 | CIF | O14 W5 | P -4 21 m | 23.33; 23.33; 3.797 90; 90; 90 | 2066.67 | McColm, I.J.; Steadman, R.; Wilson, S.J. Iron-promoted phases in the tungsten-oxygen system Journal of Solid State Chemistry, 1978, 23, 33-42 |
1527886 | CIF | H O2 Yb | P -4 21 m | 5.465; 5.465; 5.327 90; 90; 90 | 159.097 | Norlund Christensen, A.; Hazell, R.G. The Crystal Structure of the Tetragonal Modification of Yb O O H Acta Chemica Scandinavica (1-27,1973-42,1988), 1972, 26, 1171-1176 |
1528745 | CIF | Cu3 Se2 | P -4 21 m | 6.406; 6.406; 4.279 90; 90; 90 | 175.597 | Morimoto, N.; Koto, K. Crystal structure of umangite, Cu3 Se2 Science, 1966, 153, 345-345 |
1528824 | CIF | Li3 O35 P5 U7 | P -4 21 m | 9.9305; 9.9305; 14.5741 90; 90; 90 | 1437.22 | Renard, C.; Obbade, S.; Abraham, F. Channels occupany and distortion in new lithium uranyl phosphates with three-dimensional open-frameworks Journal of Solid State Chemistry, 2009, 182, 1377-1386 |
1529619 | CIF | Ca2 Ga2 Ge O7 | P -4 21 m | 7.896; 7.896; 5.207 90; 90; 90 | 324.64 | Belokoneva, E.L.; Belov, N.V. The crystal structure of the synthetic Ga, Ge-Gelenite Ca2 Ga2 Ge O7 = Ca2 Ga (Ga Ge) O7 and its comparison with the structure Ca3 Ga2 Ge4 O14 = Ca3 Ge ((Ga2 Ge) Ge2 O14) Doklady Akademii Nauk SSSR, 1981, 260, 1363-1366 |
1530431 | CIF | Al1.25 Ca1.96 Fe0.12 Mg0.24 Na0.05 O7 Si1.39 | P -4 21 m | 7.738; 7.738; 5.045 90; 90; 90 | 302.078 | Mokeeva, V.I.; Makarov, E.S. The isomorphism in melilites - the refinement of the crystal structures of akermanite and the intermediate melilite Geokhimiya, 1979, 1979, 1541-1544 |
1530701 | CIF | F H2 O2 Rb | P -4 21 m | 12.07; 12.07; 4.39 90; 90; 90 | 639.557 | Sarin, V.A.; Dudarev, V.Ya.; Dobrynina, T.A.; Zavodnik, V.E.; Fykin, L.E. X-ray and neutron structural investigation of Rb F * H2 O2 crystals Kristallografiya, 1977, 22, 982-987 |
1531636 | CIF | Be2 O7 Si Y2 | P -4 21 m | 7.281; 7.281; 4.755 90; 90; 90 | 252.077 | Kuz'micheva, G.M.; Rybakov, V.B.; Kutovoi, S.A.; Panyutin, V.L.; Oleinik, A.Yu.; Plashkarev, O.G. Preparation, structure and properties of new laser crystals Y2 Si Be2 O7 and Y2 Al (Be B) O7 Neorganicheskie Materialy, 2002, 38, 72-77 |
1531641 | CIF | Al B Be O7 Y2 | P -4 21 m | 7.267; 7.267; 4.708 90; 90; 90 | 248.626 | Kuz'micheva, G.M.; Rybakov, V.B.; Kutovoi, S.A.; Panyutin, V.L.; Oleinik, A.Yu.; Plashkarev, O.G. Preparation, structure and properties of new laser crystals Y2 Si Be2 O7 and Y2 Al (Be B) O7 Neorganicheskie Materialy, 2002, 38, 72-77 |
1534296 | CIF | Cr3 Ge N | P -4 21 m | 5.375; 5.375; 4.012 90; 90; 90 | 115.909 | Boller, H. Bie Kristallstruktur von Cr3 Ge N Monatshefte fuer Chemie (-108,1977), 1969, 100, 1471-1476 |
1535257 | CIF | Cl3 Nb O | P -4 21 m | 10.8959; 10.8959; 3.9479 90; 90; 90 | 468.697 | Stroebele, M.; Meyer, H.J. Neubestimmung der Struktur von NbOCl3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 488-491 |
1536207 | CIF | Ge2 O7 Sr2 Zn | P -4 21 m | 8.169; 8.169; 5.337 90; 90; 90 | 356.152 | Ochi, Y.; Tanaka, K.; Morikawa, H.; Marumo, F. The crystal structure of Sr2 Zn Ge2 O7 Kobutsugaku Zasshi (= Journal of the Mineralogical Society of Japan), 1982, 15, 331-341 |
1536210 | CIF | Be2 Ge La2 O7 | P -4 21 m | 7.695; 7.695; 4.968 90; 90; 90 | 294.17 | Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H. Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group Journal of the Ceramic Association, Japan, 1983, 91, 229-235 |
1536213 | CIF | Be2 Ge O7 Pr2 | P -4 21 m | 7.611; 7.611; 4.919 90; 90; 90 | 284.944 | Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H. Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group Journal of the Ceramic Association, Japan, 1983, 91, 229-235 |
1536216 | CIF | Be2 Ge O7 Sm2 | P -4 21 m | 7.528; 7.528; 4.859 90; 90; 90 | 275.363 | Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H. Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group Journal of the Ceramic Association, Japan, 1983, 91, 229-235 |
1536219 | CIF | Be2 Gd2 Ge O7 | P -4 21 m | 7.48; 7.48; 4.842 90; 90; 90 | 270.912 | Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H. Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group Journal of the Ceramic Association, Japan, 1983, 91, 229-235 |
1536221 | CIF | Be2 Dy2 Ge O7 | P -4 21 m | 7.428; 7.428; 4.809 90; 90; 90 | 265.337 | Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H. Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group Journal of the Ceramic Association, Japan, 1983, 91, 229-235 |
1536225 | CIF | Be2 Ge O7 Y2 | P -4 21 m | 7.399; 7.399; 4.797 90; 90; 90 | 262.613 | Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H. Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group Journal of the Ceramic Association, Japan, 1983, 91, 229-235 |
1536229 | CIF | Be2 Er2 Ge O7 | P -4 21 m | 7.38; 7.38; 4.786 90; 90; 90 | 260.667 | Ochi, Y.; Morikawa, H.; Marumo, F.; Nozaki, H. Structures and Magnetic Properties of Rare Earth Compounds in the Melilite Group Journal of the Ceramic Association, Japan, 1983, 91, 229-235 |
1537167 | CIF | Al3 Ca O7 Y | P -4 21 m | 7.676; 7.676; 5.04 90; 90; 90 | 296.962 | Kuz'micheva, G.M.; Denisov, A.L.; Rybakov, V.B.; Mukhin, B.V.; Smirnov, V.A.; Zharikov, E.V. Characteristic features of isomorphism in Ca Y Al3 O7 melilites, containing ions of chromium Zhurnal Neorganicheskoi Khimii, 1995, 40, 569-577 |
1537171 | CIF | Al2.91 Ca Cr0.09 O7 Y | P -4 21 m | 7.679; 7.679; 5.042 90; 90; 90 | 297.312 | Kuz'micheva, G.M.; Mukhin, B.V.; Rybakov, V.B.; Zharikov, E.V.; Denisov, A.L.; Smirnov, V.A. Characteristic features of isomorphism in Ca Y Al3 O7 melilites, containing ions of chromium Zhurnal Neorganicheskoi Khimii, 1995, 40, 569-577 |
1537175 | CIF | Al2.91 B0.03 Ca Cr0.06 O7 Y | P -4 21 m | 7.68; 7.68; 5.042 90; 90; 90 | 297.389 | Kuz'micheva, G.M.; Mukhin, B.V.; Rybakov, V.B.; Denisov, A.L.; Smirnov, V.A.; Zharikov, E.V. Characteristic features of isomorphism in Ca Y Al3 O7 melilites, containing ions of chromium Zhurnal Neorganicheskoi Khimii, 1995, 40, 569-577 |
1537179 | CIF | Al2 Ca2 Cr0.026 O7 Si0.974 | P -4 21 m | 7.6877; 7.6877; 5.0659 90; 90; 90 | 299.398 | Kuz'micheva, G.M.; Zharikov, E.V.; Denisov, A.L. X-ray structural study of synthetic gehlenites Ca2 Al (Al Si) O7 and akermanites Ca2 Mg Si2 O7, doped with chromium ions Zhurnal Neorganicheskoi Khimii, 1995, 40, 1422-1428 |
1537182 | CIF | Al1.5 B0.5 Ca2 Cr0.5 O7 Si0.5 | P -4 21 m | 7.69; 7.69; 5.0714 90; 90; 90 | 299.903 | Kuz'micheva, G.M.; Zharikov, E.V.; Denisov, A.L. X-ray structural study of synthetic gehlenites Ca2 Al (Al Si) O7 and akermanites Ca2 Mg Si2 O7, doped with chromium ions Zhurnal Neorganicheskoi Khimii, 1995, 40, 1422-1428 |
1537186 | CIF | Ca2 Cr0.02 Mg O7 Si1.98 | P -4 21 m | 7.835; 7.835; 5.008 90; 90; 90 | 307.427 | Kuz'micheva, G.M.; Zharikov, E.V.; Denisov, A.L. X-ray structural study of synthetic gehlenites Ca2 Al (Al Si) O7 and akermanites Ca2 Mg Si2 O7, doped with chromium ions Zhurnal Neorganicheskoi Khimii, 1995, 40, 1422-1428 |
1537220 | CIF | Al1.25 Ca1.94 O7 Si1.38 Zn0.43 | P -4 21 m | 7.734; 7.734; 5.048 90; 90; 90 | 301.945 | Rozhdestvenskaya, I.V.; Bannova, I.I.; Timoshenko, T.I.; Barbanyagre, V.D.; Shamshurov, V.M. Refinement of the Ca2 (Al,Zn)(Si,Al)2 O7 crystal structure. Isomorphism in the structures of the helenite-hardystonite series Kristallografiya, 1995, 40, 681-683 |
1537544 | CIF | Ca2 Ga2 O7 Si | P -4 21 m | 7.797; 7.797; 5.132 90; 90; 90 | 311.991 | Korczak, P.; Raaz, F. Verfeinerung der Kristallstruktur von Gehlenit unter Zugrundelegung des Gallium-Gehlenites. Anzeiger der Oesterreichischen Akademie der Wissenschaften, Mathematisch-Naturwissenschaftliche Klasse, 1967, 104, 383-388 |
1539086 | CIF | Ta | P -4 21 m | 10.184; 10.184; 5.306 90; 90; 90 | 550.306 | Shamrai, V.F.; Warhulska, A.V.; Arakcheeva, A.V.; Grinevich, V.V. Magnetic properties and crystal structure of Ta beta Kristallografiya, 2004, 49, 1025-1030 |
1539516 | CIF | Li6 O7 Si2 | P -4 21 m | 7.715; 7.715; 4.88 90; 90; 90 | 290.464 | Voellenkle, H.; Wittmann, A.; Nowotny, H. Die Kristallstruktur der Verbindung Li6 (Si2 O7) Monatshefte fuer Chemie (-108,1977), 1969, 100, 295-303 |
1540252 | CIF | Al2 Ca2 O7 Si | P -4 21 m | 7.736; 7.736; 5.123 90; 90; 90 | 306.59 | Kimata, M.; Saito, S.; Shimizu, M. Refinement of the high-temperature crystal structure of gehlenite using a new radiative air-cooled heater Transactions of the American Crystallographic Association, 1991, 27, 301-308 |
1540960 | CIF | Al5 H15.84 Li5.04 O27.92 Si5 | P -4 21 m | 9.911; 9.911; 6.56 90; 90; 90 | 644.375 | Shepelev, Yu.F.; Butikova, I.K.; Smolin, Yu.I. Crystal structure of the synthetic zeolite Li F Kristallografiya, 1989, 34, 1302-1304 |
1541863 | CIF | Al3.9 Ba1.952 H14.8 O27.4 Si6.1 | P -4 21 m | 9.581; 9.581; 6.526 90; 90; 90 | 599.058 | Mazzi, F.; Gottardi, G.; Galli, E. Crystal structure refinement of two tetragonal edingtonites Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1984, 1984, 373-382 |
1542128 | CIF | Mn1.02 O7 Si2.056 Sr1.928 | P -4 21 m | 8.118; 8.118; 5.142 90; 90; 90 | 338.868 | Kimata, M. The structural properties and mineralogical significance of synthetic Sr2 Mn Si2 O7 melilite with 4-coordinated manganese Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1985, 1985, 83-96 |
1544223 | CIF | C H4 N2 O | P -4 21 m | 5.589; 5.589; 4.68 90; 90; 90 | 146.2 | Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej H-Bond Breaking in High-Pressure Urea The Journal of Physical Chemistry C, 2009, 113, 15761 |
1544846 | CIF | Ca1.53 Fe0.49 Mg0.52 Na0.47 O7 Si1.99 | P -4 21 m | 7.8228; 7.8228; 5.0271 90; 90; 90 | 307.639 | Akasaka, M.; Nagashima, M.; Makino, K.; Ohashi, H. Distribution of Fe3+ in a synthetic (Ca,Na)2(Mg,Fe3+)Si2O7-melilite: 57Fe Mossbauer and X-ray Rietveld studies Journal of Mineralogical and Petrological Sciences, 2005, 100, 229-236 |
1560257 | CIF | C16 H40 Cl0.15 I3.85 N2 Zn | P -4 21 m | 13.6341; 13.6341; 14.6643 90; 90; 90 | 2725.9 | Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system Journal of Solid State Chemistry, 2017, 256, 60-66 |
1560258 | CIF | C16 H40 Cl0.12 I3.88 N2 Zn | P -4 21 m | 13.7327; 13.7327; 14.7484 90; 90; 90 | 2781.4 | Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system Journal of Solid State Chemistry, 2017, 256, 60-66 |
1560259 | CIF | C16 H40 Cl0.18 I3.82 N2 Zn | P -4 21 m | 13.7471; 13.7471; 14.7993 90; 90; 90 | 2796.8 | Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system Journal of Solid State Chemistry, 2017, 256, 60-66 |
1560260 | CIF | C16 H40 Cl0.12 I3.88 N2 Zn | P -4 21 m | 13.865; 13.865; 14.833 90; 90; 90 | 2851.5 | Najla Mahbouli Rhouma; Ali Rayes; Francesco Mezzadri; Davide Delmonte; Riccardi Cabassi; Gianluca Calestani; Mohamed Loukil Structural and electrical phase transitions in the [(C2H5)4N]2ZnI3.86Cl0.14 system Journal of Solid State Chemistry, 2017, 256, 60-66 |
1560588 | CIF | Cs2 O16 S1.83 Se1.17 U2 | P -4 21 m | 9.6926; 9.6926; 8.1354 90; 90; 90 | 764.29 | Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G. Selective Se-for-S substitution in Cs-bearing uranyl compounds Journal of Solid State Chemistry, 2017, 248, 126-133 |
1560589 | CIF | Cs2 O16 S1.51 Se1.49 U2 | P -4 21 m | 9.7075; 9.7075; 8.1407 90; 90; 90 | 767.1 | Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G. Selective Se-for-S substitution in Cs-bearing uranyl compounds Journal of Solid State Chemistry, 2017, 248, 126-133 |
1560590 | CIF | Cs2 O16 S0.96 Se2.05 U2 | P -4 21 m | 9.7828; 9.7828; 8.1537 90; 90; 90 | 780.3 | Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G. Selective Se-for-S substitution in Cs-bearing uranyl compounds Journal of Solid State Chemistry, 2017, 248, 126-133 |
1560591 | CIF | Cs2 O16 S0.49 Se2.52 U2 | P -4 21 m | 9.8082; 9.8082; 8.1477 90; 90; 90 | 783.8 | Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G. Selective Se-for-S substitution in Cs-bearing uranyl compounds Journal of Solid State Chemistry, 2017, 248, 126-133 |
1560592 | CIF | Cs2 O16 Se3 U2 | P -4 21 m | 9.856; 9.856; 8.1587 90; 90; 90 | 792.5 | Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G. Selective Se-for-S substitution in Cs-bearing uranyl compounds Journal of Solid State Chemistry, 2017, 248, 126-133 |
1560593 | CIF | Cs2 O16 S3 U2 | P -4 21 m | 9.6165; 9.6165; 8.1055 90; 90; 90 | 749.57 | Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G. Selective Se-for-S substitution in Cs-bearing uranyl compounds Journal of Solid State Chemistry, 2017, 248, 126-133 |
1560594 | CIF | Cs2 O16 S2.7 Se0.31 U2 | P -4 21 m | 9.6268; 9.6268; 8.1119 90; 90; 90 | 751.77 | Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G. Selective Se-for-S substitution in Cs-bearing uranyl compounds Journal of Solid State Chemistry, 2017, 248, 126-133 |
1560595 | CIF | Cs2 O16 S2.43 Se0.57 U2 | P -4 21 m | 9.6518; 9.6518; 8.1163 90; 90; 90 | 756.09 | Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G. Selective Se-for-S substitution in Cs-bearing uranyl compounds Journal of Solid State Chemistry, 2017, 248, 126-133 |
1560596 | CIF | Cs2 O16 S2.14 Se0.86 U2 | P -4 21 m | 9.6835; 9.6835; 8.1328 90; 90; 90 | 762.61 | Gurzhiy, Vladislav V.; Tyumentseva, Olga S.; Krivovichev, Sergey V.; Tananaev, Ivan G. Selective Se-for-S substitution in Cs-bearing uranyl compounds Journal of Solid State Chemistry, 2017, 248, 126-133 |
1562471 | CIF | Cu K2 O7 P2 | P -4 21 m | 8.056; 8.056; 5.46 90; 90; 90 | 354.35 | Keates, Adam C.; Wang, Qianlong; Weller, Mark T. Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra Journal of Solid State Chemistry, 2014, 210, 10-14 |
1562472 | CIF | Fe K2 O7 P2 | P -4 21 m | 8.092; 8.092; 5.496 90; 90; 90 | 359.9 | Keates, Adam C.; Wang, Qianlong; Weller, Mark T. Synthesis and structural characterisation of iron(II) and copper(II) diphosphates containing flattened metal oxotetrahedra Journal of Solid State Chemistry, 2014, 210, 10-14 |
1566501 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566502 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566503 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566504 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566505 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566506 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566507 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566508 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566509 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566510 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566511 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566512 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566513 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566514 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566515 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566516 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566517 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566518 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566519 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566520 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar Hirshfeld atom refinement based on projector augmented wave densities with periodic boundary conditions IUCrJ, 2022, 9, 286-297 |
1566786 | CIF | O S6 Sn2 Sr2 Zn | P -4 21 m | 9.664; 9.664; 6.33 90; 90; 90 | 591.177 | Cheng, Yansong; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng Rational Design of a Promising Oxychalcogenide Infrared Nonlinear Optical Crystal Chemical Science, 2022 |
1568610 | CIF | C112 H70 N8 O59 Y8 | P -4 21 m | 33.7993; 33.7993; 7.9398 90; 90; 90 | 9070.4 | Li, Juan; Wang, Airong; Qiu, Shiming; Wang, Xiaoli; Li, Jiaming A 12-Connected [Y<sub>4</sub>((<i>μ</i><sub>3</sub>-OH)<sub>4</sub>]<sup>8+</sup> Cluster-Based Luminescent Metal-Organic Framework for Selective Turn-on Detection of F<sup>-</sup> in H<sub>2</sub>O. Molecules (Basel, Switzerland), 2023, 28, 1893 |
1569275 | CIF | B2 Cd Ga O7 Tb | P -4 21 m | 7.3487; 7.3487; 4.7247 90; 90; 90 | 255.15 | Chen, Xuean; Zhang, Jinyuan; Xiao, Weiqiang; Song, Xiaoyan A new melilite-type rare-earth borate CdTbGaB2O7 and multicolor tunable emission in the CdTb1−xSmxGaB2O7 (0 ≤ x ≤ 0.2) phosphors RSC Advances, 2023, 13, 16272-16284 |
1572115 | CIF | C51 H69 La N2 O2 P | P -4 21 m | 21.1393; 21.1393; 10.827 90; 90; 90 | 4838.3 | Minko, Yury; Fetrow, Taylor V.; Sharma, Shikha; Cashman, Brenna K.; Tondreau, Aaron M. Flexible interactions of the rare-earth elements Y, La, and Lu with phosphorus in metallacyclohexane rings. Chemical science, 2024, 15, 12138-12147 |
2002625 | CIF | Be2 Nd2 O7 Si | P -4 21 m | 7.47; 7.47; 4.864 90; 90; 90 | 271.4 | Mueller, C; Mueller-Buschbaum, Hk Zwei Oxometallate mit Melilith-Struktur: Nd2 Si Be2 O7 und Ho2 Si Be2 O7 Journal of Alloys Compd., 1993, 199, 151-154 |
2002626 | CIF | Be2 Ho2 O7 Si | P -4 21 m | 7.288; 7.288; 4.754 90; 90; 90 | 252.5 | Mueller, C; Mueller-Buschbaum, Hk Zwei Oxometallate mit Melilith-Struktur: Nd2 Si Be2 O7 und Ho2 Si Be2 O7 Journal of Alloys Compd., 1993, 199, 151-154 |
2003112 | CIF Paper | C H4 N2 O | P -4 21 m | 5.589; 5.589; 4.6947 90; 90; 90 | 146.65 | Zavodnik, Valery; Stash, Adam; Tsirelson, Vladimir; de Vries, Roelof; Feil, Dirk Electron density study of urea using TDS-corrected X-ray diffraction data: quantitative comparison of experimental and theoretical results Acta Crystallographica Section B, 1999, 55, 45-54 |
2003215 | CIF Paper | C12 H32 Cl4 N2 Zn | P -4 21 m | 13.087; 13.087; 11.793 90; 90; 90 | 2019.8 | Caëtano, Odile; Lapasset, Jacques; Saint-Grégoire, Pierre Tetraethylammonium Tetramethylammonium Tetrachlorozincate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N]ZnCl~4~ Acta Crystallographica Section C, 1995, 51, 220-222 |
2004305 | CIF Paper | C2 H12 N4 O26 Pb3 Re6 S2 | P -4 21 m | 16.208; 16.208; 5.8 90; 90; 90 | 1523.7 | Macícek, J.; Angelova, O. Molecular Adducts of Inorganic Salts. III. Non-Centrosymmetric 3Pb(ReO~4~)~2~.2tu.2H~2~O (tu = Thiourea) Acta Crystallographica Section C, 1995, 51, 2539-2542 |
2005683 | CIF Paper | C12 H32 Cl4 Cu N2 | P -4 21 m | 13.078; 13.078; 11.871 90; 90; 90 | 2030 | Mahoui, A.; Lapasset, J.; Moret, J.; Saint Grégoire, P. Tetraethylammonium Tetramethylammonium Tetrachlorocuprate(II), [(C~2~H~5~)~4~N][(CH~3~)~4~N][CuCl~4~] Acta Crystallographica Section C, 1996, 52, 2674-2676 |
2010026 | CIF Paper | C3 H9 Cl O5 S | P -4 21 m | 11.605; 11.605; 6.005 90; 90; 90 | 808.7 | Kolinsky, C.; Puget, R.; de Brauer, C.; Jannin, M. Structures of trimethyloxosulfonium salts. VIII. New refinement of the perchlorate (CH~3~)~3~SO^+^.ClO~4~^{-^} Acta Crystallographica Section C, 1994, 50, 1514-1516 |
2010100 | CIF Paper | C16 H40 Br4 Cd N2 | P -4 21 m | 13.453; 13.453; 14.3945 90; 90; 90 | 2605.2 | Geselle, M.; Fuess, H. Bis(tetraethylammonium) tetrabromocadmate Acta Crystallographica Section C, 1994, 50, 1582-1585 |
2010853 | CIF HKL Paper | C16 H40 I4 N2 Zn | P -4 21 m | 13.6929; 13.6929; 14.8094 90; 90; 90 | 2776.7 | Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L. Bis(tetraethylammonium) tetraiodozincate at 150 and 301K Acta Crystallographica Section C, 2000, 56, e124-e125 |
2010854 | CIF HKL Paper | C16 H40 I4 N2 Zn | P -4 21 m | 13.8199; 13.8199; 14.8975 90; 90; 90 | 2845.3 | Harrison, William T. A.; Howie, R. Alan; Skakle, Janet; Wardell, James L. Bis(tetraethylammonium) tetraiodozincate at 150 and 301K Acta Crystallographica Section C, 2000, 56, e124-e125 |
2018257 | CIF HKL Paper | Dy2 Mo3 O12 | P -4 21 m | 7.295; 7.295; 10.578 90; 90; 90 | 562.9 | Dorzhieva, Sesegma; Chumak, Ihor; Sarapulova, Angelina; Mikhailova, Daria; Bazarova, Jibzema; Ehrenberg, Helmut A tetragonal form of dysprosium orthomolybdate at room temperature Acta Crystallographica Section C, 2011, 67, i50-i52 |
2018972 | CIF HKL Paper | C6 H8 Mn N2 O6 | P -4 21 m | 8.8324; 8.8324; 6.4406 90; 90; 90 | 502.44 | Wang, Bi-Qin; Yan, Hai-Biao; Huang, Zheng-Qing; Zhang, Zhi Reversible high-temperature phase transition of a manganese(II) formate framework with imidazolium cations Acta Crystallographica Section C, 2013, 69, 616-619 |
2019369 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Birkedal, Henrik; Madsen, Dennis; Mathiesen, Ragnvald H.; Knudsen, Kenneth; Weber, Hans-Peter; Pattison, Philip; Schwarzenbach, Dieter The charge density of urea from synchrotron diffraction data Acta Crystallographica Section A Foundations of Crystallography, 2004, 60, 371-381 |
2022025 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2100936 | CIF Paper | Ca2 Co O7 Si2 | P -4 21 m | 7.8417; 7.8417; 5.0249 90; 90; 90 | 308.99 | Hagiya, K.; Ohmasa, M.; Iishi, K. The modulated structure of synthetic Co-åkermanite, Ca~2~CoSi~2~O~7~ Acta Crystallographica Section B, 1993, 49, 172-179 |
2102160 | CIF Paper | Ca1.74 Co O7 Si2 Sr0.26 | P -4 21 m | 7.8743; 7.8743; 5.0417 90; 90; 90 | 312.61 | Bagautdinov, B.; Hagiya, K.; Kusaka, K.; Ohmasa, M.; Iishi, K. Two-dimensional incommensurately modulated structure of (Sr~0.13~Ca~0.87~)~2~CoSi~2~O~7~ crystals Acta Crystallographica Section B, 2000, 56, 811-821 |
2103245 | CIF Paper | Ta | P -4 21 m | 10.211; 10.211; 5.3064 90; 90; 90 | 553.3 | Arakcheeva, Alla; Chapuis, Gervais; Grinevitch, Vladimir The self-hosting structure of β-Ta Acta Crystallographica Section B, 2002, 58, 1-7 |
2103917 | CIF HKL Paper | Ta | P -4 21 m | 10.201; 10.201; 5.3075 90; 90; 90 | 552.3 | Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir The commensurate composite σ-structure of β-tantalum Acta Crystallographica Section B, 2003, 59, 324-336 |
2105715 | CIF | Ta | P -4 21 m | 10.201; 10.201; 5.3075 90; 90; 90 | 552.3 | Arakcheeva, Alla; Chapuis, Gervais; Birkedal, Henrik; Pattison, Phil; Grinevitch, Vladimir The commensurate composite σ-structure of β-tantalum Acta Crystallographica Section B Structural Science, 2003, 59, 324 |
2106179 | CIF | Ca2 Mg O7 Si2 | P -4 21 m | 7.86; 7.86; 5.024 90; 90; 90 | 310.381 | Bindi, L.; Chapuis, G.; Bonazzi, P.; Petricek, V.; Dusek, M. Five-dimensional structure refinement of natural melilite, (Ca1.89 Sr0.01 Na0.08 K0.02) (Mg0.92 Al0.08) (Si1.98 Al0.02) O7 Acta Crystallographica B (39,1983-), 2001, 57, 739-746 |
2106748 | CIF | Ta | P -4 21 m | 10.211; 10.211; 5.3064 90; 90; 90 | 553.269 | Arakcheeva, A.V.; Chapuis, G.; Birkedal, H.; Grinevich, V.V.; Pattison, P. The commensurate composite sigma-structure of beta-tantalum Acta Crystallographica B (39,1983-), 2003, 59, 324-336 |
2108749 | CIF HKL | C2 H5 Na O | P -4 21 m | 4.41084; 4.41084; 9.06779 90; 90; 90 | 176.418 | Beske, Maurice; Cronje, Stephanie; Schmidt, Martin U.; Tapmeyer, Lukas Disordered sodium alkoxides from powder data: crystal structures of sodium ethoxide, propoxide, butoxide and pentoxide, and some of their solvates Acta Crystallographica Section B, 2021, 77 |
2201770 | CIF | Ba2 Co O7 Si2 | P -4 21 m | 8.1709; 8.1709; 5.3374 90; 90; 90 | 356.34 | El Bali, Brahim; Zavalij, Peter Y. Tetragonal form of barium cobalt disilicate, Ba~2~CoSi~2~O~7~ Acta Crystallographica, Section E, 2003, 59, i59-i61 |
2205376 | CIF HKL Paper | Cl H4 N O2 | P -4 21 m | 6.3397; 6.3397; 3.756 90; 90; 90 | 150.96 | Smolentsev, Anton I.; Naumov, Dmitry Yu. Ammonium chlorite, NH~4~ClO~2~, at 150K Acta Crystallographica Section E, 2005, 61, i38-i40 |
2243495 | CIF HKL Paper | C3 H7 Cs O3 | P -4 21 m | 17.7764; 17.7764; 4.2223 90; 90; 90 | 1334.25 | Samolová, Erika; Fábry, Jan Caesium propanoate monohydrate Acta Crystallographica Section E, 2020, 76, 1307-1310 |
2300614 | CIF HKL | Ba2 Co Ge2 O7 | P -4 21 m | 8.392; 8.392; 5.561 90; 90; 90 | 391.64 | Sazonov, Andrew; Meven, Martin; Roth, Georg; Georgii, Robert; Kézsmárki, István; Kocsis, Vilmos; Tokunaga, Yusuke; Taguchi, Yasujiro; Tokura, Yoshinori; Hutanu, Vladimir Origin of forbidden reflections in multiferroic Ba~2~CoGe~2~O~7~ by neutron diffraction: symmetry lowering or Renninger effect? Journal of Applied Crystallography, 2016, 49, 556-560 |
2310857 | CIF | Cl H4 N O2 | P -4 21 m | 6.349; 6.349; 3.778 90; 90; 90 | 152.29 | Gillespie, R.B.; Sparks, R.A.; Trueblood, K.N. The crystal structure of ammonium chlorite at -35 C Acta Crystallographica (1,1948-23,1967), 1959, 12, 867-872 |
2311086 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Hoser, Anna A.; Madsen, Anders Ø. Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory Acta Crystallographica Section A, 2016, 72, 206-214 |
2311534 | CIF Paper | C8 H5 Br2 N | P -4 21 m | 14.6731; 14.6731; 3.9727 90; 90; 90 | 855.32 | Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J. Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1913-1916 |
2311535 | CIF | C8 H5 Br2 N | P -4 21 m | 14.69; 14.69; 4.0703 90; 90; 90 | 878.4 | Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J. Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide. Acta crystallographica. Section E, Crystallographic communications, 2017, 73, 1913-1916 |
2312561 | CIF Paper | C H4 N2 O | P -4 21 m | 5.596; 5.596; 4.7164 90; 90; 90 | 147.7 | Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277 |
2312562 | CIF Paper | C H4 N2 O | P -4 21 m | 5.596; 5.596; 4.7164 90; 90; 90 | 147.7 | Kumar, Anil; Jha, Kunal Kumar; Olech, Barbara; Goral, Tomasz; Malinska, Maura; Woźniak, Krzysztof; Dominiak, Paulina Maria TAAM refinement on high-resolution experimental and simulated 3D ED/MicroED data for organic molecules. Acta crystallographica. Section C, Structural chemistry, 2024, 80, 264-277 |
4000261 | CIF | C10 H16 Cl4 Cu Hg3 N6 | P -4 21 m | 10.9576; 10.9576; 9.8516 90; 90; 90 | 1182.87 | Draper, Neil D.; Batchelor, Raymond J.; Sih, Bryan C.; Ye, Zuo-Guang; Leznoff, Daniel (N,N,N',N'-tetramethylethylenediamine)bis-(dicyanomercury)copper(II) tetrachloromercurate(II) Chemistry of Materials, 2003 |
4002227 | CIF | N4 O3 Si3 Y2 | P -4 21 m | 7.652; 7.652; 4.96 90; 90; 90 | 290.423 | Fang, C.M.; de Wijs, G.A.; de Groot, R.A.; Metselaar, R.; Hintzen, H.T.; de With, G. O/N ordering in Y2 Si3 O3 N4 with the melilite-type structure from first-principles calculations Chemistry of Materials (1,1989-), 2000, 12, 1071-1075 |
4063469 | CIF | C37 H39 B Mo2 S4 | P -4 21 m | 14.6955; 14.6955; 7.7749 90; 90; 90 | 1679.05 | Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean Carbon‒Sulfur and Carbon‒Halogen Bond Cleavage of Acyclic or Cyclic Thioethers, Thiophenes, and Dihaloalkanes with the Trithiolato-Bridged Cation [Mo2Cp2(μ-SMe)3(MeCN)2]+ Organometallics, 2010, 29, 448-462 |
4064945 | CIF | C20 H45 I N2 P2 Pd | P -4 21 m | 11.7918; 11.7918; 9.4299 90; 90; 90 | 1311.2 | Gwynne, Erin A.; Stephan, Douglas W. Nickel(II) and Palladium(II) Bis-Aminophosphine Pincer Complexes Organometallics, 2011, 30, 4128 |
4065895 | CIF | C47 H76 Cl4 Zr4 | P -4 21 m | 21.7273; 21.7273; 10.5748 90; 90; 90 | 4992.1 | Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming Syntheses and Structures of Zirconium Tetranuclear Polyhydrides Organometallics, 2010, 29, 2685 |
4065896 | CIF | C46 H74 Cl4 Zr4 | P -4 21 m | 21.62; 21.62; 10.6009 90; 90; 90 | 4955.1 | Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming Syntheses and Structures of Zirconium Tetranuclear Polyhydrides Organometallics, 2010, 29, 2685 |
4065897 | CIF | C22 H39 Cl2 O0.5 Zr2 | P -4 21 m | 16.0703; 16.0703; 9.6812 90; 90; 90 | 2500.2 | Liu, Fu-Chen; Chu, Yong-Jui; Yang, Chien-Chan; Lee, Gene-Hsian; Peng, Shie-Ming Syntheses and Structures of Zirconium Tetranuclear Polyhydrides Organometallics, 2010, 29, 2685 |
4078328 | CIF | C18 H30 N4 Rh2 | P -4 21 m | 11.1652; 11.1652; 8.0783 90; 90; 90 | 1007.05 | Tejel, Cristina; Villoro, José M.; Ciriano, Miguel A.; López, José A.; Eguizábal, Eduardo; Lahoz, Fernando J.; Bakhmutov, Vladimir I.; Oro, Luis A. Dynamic Behavior, Redistribution Reactions, and Intermetallic Distances of Dinuclear Bis(μ-pyrazolato)rhodium(I) Complexes Organometallics, 1996, 15, 2967 |
4103516 | CIF | C7 H5 F N3 S4 | P -4 21 m | 15.8542; 15.8542; 4.1273 90; 90; 90 | 1037.42 | Kristina Lekin; Stephen M. Winter; Laura E. Downie; Xuezhao Bao; John S. Tse; Serge Desgreniers; Richard A. Secco; Paul A. Dube; Richard T. Oakley Hysteretic Spin Crossover between a Bisdithiazolyl Radical and Its Hypervalent σ-Dimer Journal of the American Chemical Society, 2010, 132, 16212-16224 |
4105296 | CIF | Cu3 Se2 | P -4 21 m | 6.469; 6.469; 4.203 90; 90; 90 | 175.9 | Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors Journal of the American Chemical Society, 2009, 131, 16177-16188 |
4105297 | CIF HKL | Cu3 Se2 | P -4 21 m | 6.66; 6.66; 4.102 90; 90; 90 | 181.9 | Alfred J. Wooten; Donald J. Werder; Darrick J. Williams; Joanna L. Casson; Jennifer A. Hollingsworth Solution-Liquid-Solid Growth of Ternary Cu-In-Se Semiconductor Nanowires from Multiple- and Single-Source Precursors Journal of the American Chemical Society, 2009, 131, 16177-16188 |
4105337 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 16.09457; 16.09457; 3.98958 90; 90; 90 | 1033.44 | Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response Journal of the American Chemical Society, 2009, 131, 16012-16013 |
4105338 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 16.07661; 16.07661; 3.94232 90; 90; 90 | 1018.92 | Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response Journal of the American Chemical Society, 2009, 131, 16012-16013 |
4105339 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 15.90088; 15.90088; 3.80246 90; 90; 90 | 961.41 | Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response Journal of the American Chemical Society, 2009, 131, 16012-16013 |
4105340 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 15.83767; 15.83767; 3.73814 90; 90; 90 | 937.64 | Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response Journal of the American Chemical Society, 2009, 131, 16012-16013 |
4105341 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 15.78087; 15.78087; 3.6909 90; 90; 90 | 919.17 | Masaki Mito; Yuki Komorida; Hideki Tsuruda; John S. Tse; Serge Desgreniers; Yauso Ohishi; Alicea A. Leitch; Kristina Cvrkalj; Craig M. Robertson; Richard T. Oakley Heavy Atom Ferromagnets under Pressure: Structural Changes and the Magnetic Response Journal of the American Chemical Society, 2009, 131, 16012-16013 |
4105961 | CIF HKL | C7 H5 Br N3 Se4 | P -4 21 m | 16.23481; 16.23481; 4.083 90; 90; 90 | 1076.15 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105962 | CIF HKL | C7 H5 Br N3 Se4 | P -4 21 m | 16.1602; 16.1602; 4.01327 90; 90; 90 | 1048.07 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105963 | CIF HKL | C7 H5 Br N3 Se4 | P -4 21 m | 16.03132; 16.03132; 3.89682 90; 90; 90 | 1001.5 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105964 | CIF HKL | C7 H5 Br N3 Se4 | P -4 21 m | 15.93675; 15.93675; 3.81437 90; 90; 90 | 968.774 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105965 | CIF HKL | C7 H5 Br N3 Se4 | P -4 21 m | 15.86977; 15.86977; 3.74821 90; 90; 90 | 943.985 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105966 | CIF HKL | C7 H5 Br N3 Se4 | P -4 21 m | 15.81103; 15.81103; 3.69185 90; 90; 90 | 922.92 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105967 | CIF HKL | C7 H5 Br N3 Se4 | P -4 21 m | 15.76088; 15.76088; 3.6336 90; 90; 90 | 902.606 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105968 | CIF HKL | C7 H5 Br N3 Se4 | P -4 21 m | 15.67329; 15.67329; 3.52999 90; 90; 90 | 867.15 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105969 | CIF HKL | C7 H5 Br N3 Se4 | P -4 21 m | 15.63466; 15.63466; 3.48795 90; 90; 90 | 852.604 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105970 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 15.96595; 15.96595; 3.85717 90; 90; 90 | 983.24 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105971 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 15.7209; 15.7209; 3.5586 90; 90; 90 | 879.5 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105972 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 15.63059; 15.63059; 3.57744 90; 90; 90 | 874.02 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105973 | CIF HKL | C7 H5 Cl N3 Se4 | P -4 21 m | 15.61515; 15.61515; 3.50758 90; 90; 90 | 855.26 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4105974 | CIF | C7 H5 Br N3 Se4 | P -4 21 m | 16.3109; 16.3109; 4.1753 90; 90; 90 | 1110.8 | Alicea A. Leitch; Kristina Lekin; Stephen M. Winter; Laura E. Downie; Hideki Tsuruda; John S. Tse; Masaki Mito; Serge Desgreniers; Paul A. Dube; Sijia Zhang; Qingqing Liu; Changqing Jin; Yasuo Ohishi; Richard T. Oakley From Magnets to Metals: The Response of Tetragonal Bisdiselenazolyl Radicals to Pressure Journal of the American Chemical Society, 2011, 133, 6051-6060 |
4106836 | CIF | Ca1.023 Ga3 Nd0.977 O7 | P -4 21 m | 7.8868; 7.8868; 5.2243 90; 90; 90 | 324.96 | Fengxia Wei; Tom Baikie; Tao An; Martin Schreyer; Christian Kloc; T. J. White Five-Dimensional Incommensurate Structure of the Melilite Electrolyte [CaNd]2[Ga]2[Ga2O7]2 Journal of the American Chemical Society, 2011, 133, 15200-15211 |
4107942 | CIF | C7 H5 Cl N3 S2 Se2 | P -4 21 m | 15.9014; 15.9014; 4.0161 90; 90; 90 | 1015.49 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals Journal of the American Chemical Society, 2008, 130, 8414-8425 |
4107943 | CIF | C7 H5 Cl N3 S2 Se2 | P -4 21 m | 16.0565; 16.0565; 4.1599 90; 90; 90 | 1072.47 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals Journal of the American Chemical Society, 2008, 130, 8414-8425 |
4107944 | CIF | C7 H5 Cl N3 S2 Se2 | P -4 21 m | 16.0331; 16.0331; 4.092 90; 90; 90 | 1051.89 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals Journal of the American Chemical Society, 2008, 130, 8414-8425 |
4107945 | CIF | C7 H5 Cl N3 Se4 | P -4 21 m | 16.1801; 16.1801; 4.1264 90; 90; 90 | 1080.27 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals Journal of the American Chemical Society, 2008, 130, 8414-8425 |
4107946 | CIF | C7 H5 Cl N3 Se4 | P -4 21 m | 16.2708; 16.2708; 4.172 90; 90; 90 | 1104.49 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals Journal of the American Chemical Society, 2008, 130, 8414-8425 |
4107947 | CIF | C7 H5 Cl N3 S4 | P -4 21 m | 15.7927; 15.7927; 4.031 90; 90; 90 | 1005.37 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Robert W. Reed; Daniel J. T. Myles; Paul A. Dube; Richard T. Oakley Enhanced Conductivity and Magnetic Ordering in Isostructural Heavy Atom Radicals Journal of the American Chemical Society, 2008, 130, 8414-8425 |
4108597 | CIF | C8 H7 Cl N3 S2 Se2 | P -4 21 m | 16.1583; 16.1583; 4.3026 90; 90; 90 | 1123.37 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme Journal of the American Chemical Society, 2008, 130, 14791-14801 |
4108598 | CIF | C8 H7 Cl N3 S2 Se2 | P -4 21 m | 16.2209; 16.2209; 4.3831 90; 90; 90 | 1153.27 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme Journal of the American Chemical Society, 2008, 130, 14791-14801 |
4108599 | CIF | C7 H2 Cl F3 N3 S2 Se2 | P -4 21 m | 16.2389; 16.2389; 4.2776 90; 90; 90 | 1128.01 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme Journal of the American Chemical Society, 2008, 130, 14791-14801 |
4108600 | CIF | C7 H2 Cl F3 N3 S2 Se2 | P -4 21 m | 16.2612; 16.2612; 4.3882 90; 90; 90 | 1160.36 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme Journal of the American Chemical Society, 2008, 130, 14791-14801 |
4108601 | CIF | C8 H8 N3 S2 Se2 | P -4 21 m | 16.0276; 16.0276; 4.083 90; 90; 90 | 1048.9 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme Journal of the American Chemical Society, 2008, 130, 14791-14801 |
4108602 | CIF | C8 H8 N3 S2 Se2 | P -4 21 m | 16.0088; 16.0088; 4.1385 90; 90; 90 | 1060.6 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme Journal of the American Chemical Society, 2008, 130, 14791-14801 |
4108603 | CIF | C7 H5 Br N3 S2 Se2 | P -4 21 m | 16.0499; 16.0499; 4.0684 90; 90; 90 | 1048.02 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme Journal of the American Chemical Society, 2008, 130, 14791-14801 |
4108604 | CIF | C7 H5 Br N3 S2 Se2 | P -4 21 m | 16.0885; 16.0885; 4.1339 90; 90; 90 | 1070.02 | Craig M. Robertson; Alicea A. Leitch; Kristina Cvrkalj; Daniel J. T. Myles; Robert W. Reed; Paul A. Dube; Richard T. Oakley Ferromagnetic Ordering in Bisthiaselenazolyl Radicals: Variations on a Tetragonal Theme Journal of the American Chemical Society, 2008, 130, 14791-14801 |
4110091 | CIF | C7 H5 Cl N3 S2 Se2 | P -4 21 m | 16.0334; 16.0334; 4.109 90; 90; 90 | 1056.3 | Craig M. Robertson; Daniel J. T. Myles; Alicea A. Leitch; Robert W. Reed; Brynn M. Dooley; Natia L. Frank; Paul A. Dube; Laurence K. Thompson; Richard T. Oakley Ferromagnetism in a Heavy Atom Heterocyclic Radical Conductor Journal of the American Chemical Society, 2007, 129, 12688-12689 |
4115028 | CIF | C8 H7 Cl N3 S4 | P -4 21 m | 15.9601; 15.9601; 4.4494 90; 90; 90 | 1133.4 | Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors Journal of the American Chemical Society, 2002, 124, 9498-9509 |
4115031 | CIF | C7 H5 Cl N3 S4 | P -4 21 m | 15.886; 15.886; 4.1088 90; 90; 90 | 1036.9 | Leanne Beer; Jaclyn L. Brusso; A. Wallace Cordes; Robert C. Haddon; Mikhail E. Itkis; Kristin Kirschbaum; Douglas S. MacGregor; Richard T. Oakley; A. Alan Pinkerton; Robert W. Reed Resonance-Stabilized 1,2,3-Dithiazolo-1,2,3-dithiazolyls as Neutral π-Radical Conductors Journal of the American Chemical Society, 2002, 124, 9498-9509 |
4124351 | CIF | C19 H18 N2 | P -4 21 m | 13.3318; 13.3318; 4.3442 90; 90; 90 | 772.12 | Hinz, Alexander; Schulz, Axel; Villinger, Alexander Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls. Journal of the American Chemical Society, 2015, 137, 9953-9962 |
4124694 | CIF HKL | Ca2 Mg O7 Si2 | P -4 21 m | 7.83456; 7.83456; 5.00875 90; 90; 90 | 307.439 | Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor Journal of the American Chemical Society, 2015, 137, 12494-12497 |
4124695 | CIF HKL | Al Ca4 Mg1.5 O14 Si3.5 | P -4 21 m | 7.79644; 7.79644; 5.0119 90; 90; 90 | 304.65 | Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor Journal of the American Chemical Society, 2015, 137, 12494-12497 |
4124696 | CIF HKL | Al2 Ca4 Mg O14 Si3 | P -4 21 m | 7.73707; 7.73707; 5.02948 90; 90; 90 | 301.08 | Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor Journal of the American Chemical Society, 2015, 137, 12494-12497 |
4124698 | CIF HKL | Al3 Ca4 Mg0.5 O14 Si2.5 | P -4 21 m | 7.69191; 7.69191; 5.04831 90; 90; 90 | 298.69 | Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor Journal of the American Chemical Society, 2015, 137, 12494-12497 |
4124699 | CIF HKL | Al2 Ca2 O7 Si | P -4 21 m | 7.67231; 7.67231; 5.05923 90; 90; 90 | 297.81 | Zhiguo Xia; C.-G. Ma; Maxim Molokeev; Quanlin Liu; Karl Rickert; Kenneth Poeppelmeier Chemical Unit Cosubstitution and Tuning of Photoluminescence in the Ca2(Al1-xMgx)(Al1-xSi1+x)O7:Eu2+ Phosphor Journal of the American Chemical Society, 2015, 137, 12494-12497 |
4124707 | CIF | Cl6 I P | P -4 21 m | 9.26; 9.26; 5.68 90; 90; 90 | 487.046 | Zelezny, W.F.; Baenziger, N.C. The Crystal Structure of Tetrachlorophosphonium Dichloroiodide Journal of the American Chemical Society, 1952, 74, 6151-6152 |
4126061 | CIF | C13 H3 In0.5 N3 O11 S | P -4 21 m | 14.068; 14.068; 12.289 90; 90; 90 | 2432.1 | Lin, Jian-Bin; Romero, Zaida; Shimizu, George K. H.; Joarder, Biplab Single Crystal Proton Conduction Study of a Metal Organic Framework of Modest Water Stability. Journal of the American Chemical Society, 2017 |
4127747 | CIF | I2 Pb0.5 | P -4 21 m | 16.335; 16.335; 6.4559 90; 90; 90 | 1722.6 | Gautier, Romain; Paris, Michael; Massuyeau, Florian Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen. Journal of the American Chemical Society, 2019, 141, 12619-12623 |
4127748 | CIF | Cl2 Pb0.5 | P -4 21 m | 15.541; 15.541; 5.7821 90; 90; 90 | 1396.5 | Gautier, Romain; Paris, Michael; Massuyeau, Florian Exciton Self-Trapping in Hybrid Lead Halides: Role of Halogen. Journal of the American Chemical Society, 2019, 141, 12619-12623 |
4128030 | CIF | Hg Li O4 P | P -4 21 m | 4.5946; 4.5946; 8.0512 90; 90; 90 | 169.96 | Wu, Bao-Lin; Hu, Chun-Li; Mao, Fei-Fei; Tang, Ru-Ling; Mao, Jiang-Gao Highly Polarizable Hg<sup>2+</sup> Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO<sub>4</sub>. Journal of the American Chemical Society, 2019, 141, 10188-10192 |
4134328 | CIF | C95 H134 Fe2 N6 | P -4 21 m | 21.604; 21.604; 8.778 90; 90; 90 | 4097 | Joannou, Matthew V.; Hoyt, Jordan M.; Chirik, Paul J. Investigations into the Mechanism of Inter- and Intramolecular Iron-Catalyzed [2+2] Cycloaddition of Alkenes. Journal of the American Chemical Society, 2020 |
4310301 | CIF | As2 Cu4 H23 K9 Na O77.5 W18 | P -4 21 m | 16.705; 16.705; 13.956 90; 90; 90 | 3894.5 | Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Naresh S. Dalal; Johan van Tol; Bassem S. Bassil Structure and Magnetism of the Tetra-Copper(II)-Substituted Heteropolyanion [Cu4K2(H2O)8(α-AsW9O33)2]8- Inorganic Chemistry, 2004, 43, 144-154 |
4316643 | CIF | C17 H39 Cl3 Cu2 N14 O12 | P -4 21 m | 11.9138; 11.9138; 12.0136 90; 90; 90 | 1705.2 | Antonio J. Mota; Antonio Rodríguez-Diéguez; M. Ángeles Palacios; Juan M. Herrera; Dominique Luneau; Enrique Colacio Theoretical and Experimental Study of the Effectiveness of the 5-Pyrimidyl-tetrazolate Bridging Ligand in Mediating Magnetic Exchange Interactions Inorganic Chemistry, 2010, 49, 8986-8996 |
4317121 | CIF | Eu2 Mg O7 Si2 | P -4 21 m | 8.0138; 8.0138; 5.1711 90; 90; 90 | 332.093 | Takashi Endo; Yoshihiro Doi; Makoto Wakeshima; Yukio Hinatsu Crystal Structures and Magnetic Properties of New Europium Melilites Eu2MSi2O7 (M = Mg, Mn) and Their Strontium Analogues Inorganic Chemistry, 2010, 49, 10809-10814 |
4317122 | CIF | Eu2 Mn O7 Si2 | P -4 21 m | 8.139; 8.139; 5.1635 90; 90; 90 | 342.047 | Takashi Endo; Yoshihiro Doi; Makoto Wakeshima; Yukio Hinatsu Crystal Structures and Magnetic Properties of New Europium Melilites Eu2MSi2O7 (M = Mg, Mn) and Their Strontium Analogues Inorganic Chemistry, 2010, 49, 10809-10814 |
4317123 | CIF | Mg O7 Si2 Sr2 | P -4 21 m | 8.0107; 8.0107; 5.1636 90; 90; 90 | 331.355 | Takashi Endo; Yoshihiro Doi; Makoto Wakeshima; Yukio Hinatsu Crystal Structures and Magnetic Properties of New Europium Melilites Eu2MSi2O7 (M = Mg, Mn) and Their Strontium Analogues Inorganic Chemistry, 2010, 49, 10809-10814 |
4317124 | CIF | Mn O7 Si2 Sr2 | P -4 21 m | 8.1315; 8.1315; 5.15887 90; 90; 90 | 341.111 | Takashi Endo; Yoshihiro Doi; Makoto Wakeshima; Yukio Hinatsu Crystal Structures and Magnetic Properties of New Europium Melilites Eu2MSi2O7 (M = Mg, Mn) and Their Strontium Analogues Inorganic Chemistry, 2010, 49, 10809-10814 |
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