Crystallography Open Database
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Searching space group like 'C 1 m 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000145 | CIF | H2 Na5 O15 P3 V2 | C 1 m 1 | 6.3089; 20.10379; 5.1172 90; 91.134; 90 | 648.9 | Le Bail, A On the structure of Na5 V2 P3 O14 . (H2 O) Journal of Solid State Chemistry, 1993, 102, 281-282 |
| 1000472 | CIF | H2 Na5 O15 P3 V2 | C 1 m 1 | 6.3089; 20.10379; 5.1172 90; 91.134; 90 | 648.9 | Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Leblanc, M; Raveau, B Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer structure and a pure pyramidal coordination of V(IV) Journal of Solid State Chemistry, 1992, 96, 390-396 |
| 1001332 | CIF | F12 H2 Np3 O | C 1 m 1 | 12.023; 11.723; 8.435 90; 128.77; 90 | 926.9 | Cousson, A; Gasperin, M Nouvelle description du tetrafluorure de neptunium hydrate, Np~3~ F~12~ H~2~ O Acta Crystallographica C (39,1983-), 1985, 41, 804-805 |
| 1001668 | CIF | C76.039 S48 | C 1 m 1 | 10.41; 20.5; 19.48 90; 98.8; 90 | 4108.2 | Michel, R H; Kappes, M M; Adelmann, P; Roth, G Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes Angewandte Chemie (German Edition), 1994, 106, 1742-1746 |
| 1001719 | CIF | Co O3.111 Sr0.9999 Tl0.41 | C 1 m 1 | 4.95; 25.18999; 11.66 90; 97.76; 90 | 1440.6 | Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2 Chemistry of Materials (1,1989-, 1996, 8, 1482-1489 |
| 1008044 | CIF | Er3 F10 K | C 1 m 1 | 14.08; 8.137; 28.28 90; 109.45; 90 | 3055.1 | Aleonard, S; le Fur, Y; Pontonnier, L; Gorius, M F; Roux, M T Quelques Fluorures Mixtes Terre Rare - Metal Alcalin de Structures derivees de celle de la Fluorine Annales de Chimie (Paris) (Vol=Year), 1978, 1978, 417-427 |
| 1008837 | CIF | F7 Ho2 K | C 1 m 1 | 14.287; 8.004; 11.95 90; 125.33; 90 | 1114.9 | le Fur, Y.; Aléonard, S.; Gorius, M. F.; Roux, M. T. Structure des phases de type α-KEr~2~F~7~ Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry, 1982, 38, 1431-1436 |
| 1010268 | CIF | K N O2 | C 1 m 1 | 4.45; 4.99; 7.31 90; 114.83; 90 | 147.3 | Ziegler, G E The Crystal Structure of Potassium Nitrite, K N O~2~ Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1936, 94, 491-499 |
| 1011246 | CIF | Al2 H8 O11 Si2 | C 1 m 1 | 5.2; 8.92; 10.25 90; 100; 90 | 468.2 | Mehmel, M Ueber die Struktur von Halloysit und Metahalloysit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 90, 35-43 |
| 1011247 | CIF | Al2 H4 O9 Si2 | C 1 m 1 | 5.15; 8.9; 7.57 90; 100; 90 | 341.7 | Mehmel, M Ueber die Struktur von Halloysit und Metahalloysit. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1935, 90, 35-43 |
| 1501501 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | C 1 m 1 | 5.6968; 5.682; 4.0132 90; 90.125; 90 | 129.904 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501502 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | C 1 m 1 | 5.7025; 5.6778; 4.0087 90; 90.24; 90 | 129.791 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501503 | CIF | Mg0.25 Nb0.5 O3 Pb Ti0.25 | C 1 m 1 | 5.7022; 5.6815; 4.0167 90; 90.248; 90 | 130.128 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501504 | CIF | Mg0.25 Nb0.5 O3 Pb Ti0.25 | C 1 m 1 | 5.6987; 5.687; 4.0211 90; 90.135; 90 | 130.32 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501505 | CIF | Mg0.25 Nb0.5 O3 Pb Ti0.25 | C 1 m 1 | 5.6969; 5.6889; 4.0215 90; 90.109; 90 | 130.333 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501506 | CIF | Mg0.25 Nb0.5 O3 Pb Ti0.25 | C 1 m 1 | 5.6952; 5.6903; 4.022 90; 90.083; 90 | 130.34 | Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3 Physical Review B, 2006, 74, 1-18 |
| 1501512 | CIF | Mg0.237 Nb0.473 O3 Pb Ti0.29 | C 1 m 1 | 5.6951; 5.6813; 4.0138 90; 90.136; 90 | 129.868 | Singh, Akhilesh Kumar; Pandey, Dhananjai Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study Physical Review B, 2003, 67, 1-12 |
| 1510885 | CIF | B3 Ca3.999 Ce0.03 Er0.021 O10 Y0.75 Yb0.2 | C 1 m 1 | 8.063; 15.995; 3.5231 90; 101.15; 90 | 445.79 | Chizhikov, V.I.; Yu, Y.M.; Kuz'micheva, G.M.; Ageev, A.Yu.; Panyutin, V.L.; Rybakov, V.B. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy, 2001, 37, 1235-1245 |
| 1510886 | CIF | B3 Ca3.999 Er0.021 O10 Y0.73 Yb0.25 | C 1 m 1 | 8.065; 15.998; 3.5243 90; 101.17; 90 | 446.105 | Chizhikov, V.I.; Panyutin, V.L.; Kuz'micheva, G.M.; Ageev, A.Yu.; Rybakov, V.B.; Yu, Y.M. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy, 2001, 37, 1235-1245 |
| 1510887 | CIF | B3 Ca4 La O10 | C 1 m 1 | 8.183; 16.11; 3.623 90; 101.36; 90 | 468.256 | Belokoneva, E.L.; Mill', B.V.; Ershova, G.I. Crystallization and crystal structure of La Ca4 O (B O3)3 Zhurnal Neorganicheskoi Khimii, 2003, 48, 5-7 |
| 1510888 | CIF | B3 Ca4 Lu O10 | C 1 m 1 | 8.055; 15.986; 3.511 90; 101.12; 90 | 443.614 | Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and Eu2CaO(BO3)2 Zhurnal Neorganicheskoi Khimii, 1993, 38, 917-920 |
| 1510889 | CIF | B3 Ca4 O10 Tb | C 1 m 1 | 8.089; 16.034; 3.5511 90; 101.24; 90 | 451.74 | Dzhurinskii, B.F.; Ilyukhin, A.B. Crystal structures of double oxoborates Ln Ca4 O (B O3)3 (Ln= Gd, Tb, Lu) and Eu2 Ca O (B O3)2 Zhurnal Neorganicheskoi Khimii, 1993, 38, 917-920 |
| 1510890 | CIF | B3 Ca4 O10 Y0.85 Yb0.15 | C 1 m 1 | 8.062; 15.996; 3.524 90; 101.16; 90 | 445.861 | Chizhikov, V.I.; Kuz'micheva, G.M.; Yu, Y.M.; Panyutin, V.L.; Rybakov, V.B.; Ageev, A.Yu. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy, 2001, 37, 1235-1245 |
| 1510891 | CIF | B3 Ca4.084 O9.96 Y0.916 | C 1 m 1 | 8.069; 16.005; 3.5275 90; 101.17; 90 | 446.927 | Yu, Y.M.; Ageev, A.Yu.; Kuz'micheva, G.M.; Panyutin, V.L.; Chizhikov, V.I.; Rybakov, V.B. Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals Neorganicheskie Materialy, 2001, 37, 1235-1245 |
| 1511069 | CIF | B Co3 O7 P | C 1 m 1 | 9.774; 12.688; 4.9057 90; 119.749; 90 | 528.19 | Kniep, R.; Kizilyalli, M.; Stucky, G.D.; Yilmaz, A.; Bu Xianhui Cobalt borate phosphate, Co3 (B P O7), synthesis and characterization Journal of Solid State Chemistry, 2001, 156, 281-285 |
| 1511425 | CIF | B18 K8 Se18 | C 1 m 1 | 16.2878; 41.617; 9.7876 90; 109.592; 90 | 6250.41 | Hammerschmidt, A.; Krebs, B.; Doech, M.; Lindemann, A. K8 (B12 (B Se3)6): a novel selenoborato-closo- dodecaborate with different anion substitution patterns Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 1249-1255 |
| 1511697 | CIF | B8 O38 Y16.86 | C 1 m 1 | 18.1662; 3.6516; 13.9775 90; 119.75; 90 | 805 | You, L.-P.; Su, M.-Z.; Zhou, S.; Yang, L.-Q.; Lin, J.-H.; Yao, G.-Q. Structure and luminescent properties of Y17.33 (B O3)4 (B2 O5)2 O16 Journal of Solid State Chemistry, 1997, 134, 158-163 |
| 1518091 | CIF | Bi7 Cs3 Se12 | C 1 m 1 | 27.733; 4.177; 13.286 90; 107.9; 90 | 1465 | Cordier, Gerhard; Schafer, Herbert; Schwidetzky, Christoph 0n Cs3Bi7Se12, a new layer selenidobismutate (III) Revue de Chimie Minerale, 1985, 22, 676-683 |
| 1518112 | CIF | F11 O Tl U3 | C 1 m 1 | 14.051; 8.106; 8.389 90; 90; 90 | 955.5 | Hsini, Sifeddine; Caignol, Elisabeth; Metin, Jacques; Avignant, Daniel; Cousseins, Jean-Claude Structure cristalline de l'oxyfluorure TlU3OF11 Revue de Chimie Minerale, 1986, 23, 35-47 |
| 1521045 | CIF | O3 Pb Ti0.46 Zr0.54 | C 1 m 1 | 5.76907; 5.74266; 4.089 90; 90.497; 90 | 135.463 | Frantti, J.; Rundlof, H.; Lappalainen, J.; Ivanov, S.; Eriksson, S.; Lantto, V.; Nishio, S.; Kakihana, M. Neutron diffraction studies of Pb (Zrx Ti1-x) O3 ceramics Japanese Journal of Applied Physics, Part 1, 2000, 39, 5697-5703 |
| 1521480 | CIF | Fe0.5 Nb0.5 O3 Pb | C 1 m 1 | 5.674; 5.663; 4.013 90; 89.84; 90 | 128.945 | Lampis, N.; Geddo Lehmann, A.; Sciau, P. Rietveld refinements of the paraelectric and ferroelectric structures of Pb Fe0.5 Nb0.5 O3 Journal of Physics: Condensed Matter, 1999, 11, 3489-3500 |
| 1521482 | CIF | Fe0.5 O3 Pb Ta0.5 | C 1 m 1 | 5.6687; 5.661; 4.0083 90; 89.853; 90 | 128.628 | Lampis, N.; Sciau, P.; Geddo Lehmann, A. Rietveld refinement of the paraelectric and ferroelectric structures of Pb Fe0.5 Ta0.5 O3 Journal of Physics: Condensed Matter, 2000, 12, 2367-2378 |
| 1522870 | CIF | Al3 Mo | C 1 m 1 | 16.396; 3.594; 8.386 90; 101.88; 90 | 483.579 | Schuster, J.C.; Ipser, H. The Al - Al8 Mo3 section of the binary system aluminum- molybdenum Metallurgical Transactions A: Physical Metallurgy and Materials Science, 1991, 22, 1729-1738 |
| 1524390 | CIF | Cu0.85 O5 V2 | C 1 m 1 | 11.78; 3.691; 8.876 90; 111.8; 90 | 358.329 | Galy, J.; Lavaud, D.; Casalot, A.; Hagenmuller, P. Bronzes oxygenes de vanadium de formule Cux V2 O5: Structure cristalline des phases Cux V2 O5 -beta et Cux V2 O5 - epsilon Journal of Solid State Chemistry, 1970, 2, 531-543 |
| 1524991 | CIF | H4 Mg2 Ni | C 1 m 1 | 6.497; 6.414; 6.601 90; 93.23; 90 | 274.638 | Noreus, D.; Werner, P.E. The crystal structure of the low temperature phase Mg2 Ni H4 (LT) Materials Research Bulletin, 1981, 16, 199-206 |
| 1525908 | CIF | O3 Pb Ti0.48 Zr0.52 | C 1 m 1 | 5.7154; 5.704; 4.1378 90; 90.493; 90 | 134.89 | Dmowski, W.; Egami, T.; Davies, P.K.; Farber, L. Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary AIP Conference Proceedings, 2001, 582, 33-44 |
| 1526149 | CIF | O3 Pb Ti0.48 Zr0.52 | C 1 m 1 | 5.72204; 5.70957; 4.13651 90; 90.498; 90 | 135.136 | Noheda, B.; Gonzalo, J.A.; Cross, L.E.; Shirane, G.; Park, S.-E.; Guo, R.; Cox, D.E. Tetragonal-to-monoclinic phase transition in a ferroelectric perovskite: the structure of Pb Zr0.52 Ti0.48 O3 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2000, 61, 8687-8695 |
| 1526328 | CIF | Ba0.2 Ca1.2 H25.94 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 | C 1 m 1 | 14.365; 13.887; 7.814 90; 117.36; 90 | 1384.42 | Rastsvetaeva, R.K.; Pekov, I.V.; Nekrasov, Yu.V. Crystal structure and microtwinning of a calcium-rich analog of labuntsovite Kristallografiya, 2001, 46, 415-417 |
| 1526403 | CIF | Cu2.324 O11 V4 | C 1 m 1 | 15.309; 3.61; 7.335 90; 101.84; 90 | 396.748 | Rozier, P.; Satto, C.; Galy, J. The vanadium oxide bronze Cu2.33-x V4 O11. Solid state chemistry, XRD Solid State Sciences, 2000, 2, 595-605 |
| 1526666 | CIF | C4 H16 N9 O16 Y | C 1 m 1 | 6.773; 20.866; 6.551 90; 102.98; 90 | 902.167 | Song, J.; Kang, B.; Ning, B.; Hu, R. Preparation, crystal structure and thermal decomposition process of (Y (NTO)2 NO3 (H2 O)5) * 2(H2 O) Thermochimica Acta, 2000, 352, 111-115 |
| 1526858 | CIF | Al O4 P | C 1 m 1 | 18.46799; 31.97029; 16.67589 90; 90; 90 | 9845.9 | de Onate Martinez, J.; McCusker, L.B.; Baerlocher, C. Characterization and structural analysis of differently prepared samples of dehydrated VPI-5 Microporous and Mesoporous Materials, 2000, 34, 99-113 |
| 1526859 | CIF | Al O4 P | C 1 m 1 | 18.52179; 32.12469; 8.40026 90; 90; 90 | 4998.21 | de Onate Martinez, J.; McCusker, L.B.; Baerlocher, C. Characterization and structural analysis of differently prepared samples of dehydrated VPI-5 Microporous and Mesoporous Materials, 2000, 34, 99-113 |
| 1528301 | CIF | Er3 F10 K | C 1 m 1 | 14.088; 8.1378; 28.28 90; 109.27; 90 | 3060.52 | Aleonard, S.; Guitel, J.C.; Roux, M.T. Structure cristalline de la phase beta-K Er3 F10 Journal of Solid State Chemistry, 1978, 24, 331-344 |
| 1529027 | CIF | C1.35 D2.7 O12 Si6 | C 1 m 1 | 10.43638; 15.01832; 8.85531 90; 105.739; 90 | 1335.92 | Yang, X.; Toby, B.H.; Camblor, M.A.; Lee, Y.; Olson, D.H. Propene adsorption sites in zeolite ITQ-12: a combined synchrotron x-ray and neutron diffraction study J. Phys. Chem. B, 2005, 109, 7894-7899 |
| 1529433 | CIF HKL | F3 K3 O3 W | C 1 m 1 | 8.7355; 8.6901; 6.1569 90; 135.167; 90 | 329.53 | M.S. Molokeev; S.V. Misyul; V.D. Fokina; A.G. Kocharova; K.S. Aleksandrov Structure transformations during phase transitions in the K3WO3F3 oxyfluoride Physics of the Solid State, 2011, 53, 834-839 |
| 1529566 | CIF | Cs H4 Li O5 S | C 1 m 1 | 11.927; 5.67; 4.828 90; 109.26; 90 | 308.225 | Archer, C.; Durand, J.; Cot, L.; Galigne, J.L. Sur quelques sulfites de cations monovalents; etude structurale de Li Cs O3 (H2 O)2 Canadian Journal of Chemistry, 1979, 57, 899-903 |
| 1529767 | CIF | Ca5 H4 K2 Na4 O34 Si12 | C 1 m 1 | 18.74; 7.19; 12.33 90; 112; 90 | 1540.38 | Chiragov, M.I.; Belov, N.V.; Mamedov, H.S. Crystal structure of canasite Ca5 Na4 K2 (Si12 O30) ((O H), F)4 Doklady Akademii Nauk SSSR, 1969, 185, 672-674 |
| 1530020 | CIF | Bi Li5 O5 | C 1 m 1 | 9.964; 4.148; 5.9409 90; 109.49; 90 | 231.472 | Greaves, C.; Katib, S.M.A. The Structures of Li5 Bi O5 and Li5 Sb O5 From Powder Neutron Diffraction Materials Research Bulletin, 1989, 24, 973-980 |
| 1530422 | CIF | B12 H34 O13 U | C 1 m 1 | 14.513; 9.641; 9.705 90; 117.76; 90 | 1201.63 | Mikhailov, Yu.N.; Kanishcheva, A.S.; Kuznetsov, N.T.; Zemskova, L.A.; Mistryukov, V.E.; Solntsev, K.A. A Preliminary determination of the crystal structures of uranyl complexes with neutral ligands and closoborate anions (U O2 (C O (N H2)2)5 (B10 H10) (C O (N H2)2)2 and (U O2 (H2 O)5) (B12 H12) (H2 O)6 Zhurnal Neorganicheskoi Khimii, 1982, 27, 2343-2347 |
| 1530436 | CIF | Na4 Ni7 O24 P6 | C 1 m 1 | 10.55; 13.985; 6.398 90; 104.87; 90 | 912.359 | Moring, J.; Kostiner, E. The crystal structure of Na4 Ni7 (P O4)6 Journal of Solid State Chemistry, 1986, 62, 105-111 |
| 1530677 | CIF | Cr4 H6 Li3 O19 P | C 1 m 1 | 9.635; 12.019; 7.696 90; 110.4; 90 | 835.325 | Saf'yanov, Yu.N.; Kuz'min, E.A.; Bochkova, R.I.; Belov, N.V. The crystal structure of Li3 Cr4 P O16 (H2 O)3 Doklady Akademii Nauk SSSR, 1981, 257, 619-621 |
| 1531306 | CIF | Al8.96 H34.32 O89.16 Si27.04 Sr4.56 | C 1 m 1 | 17.642; 17.775; 7.414 90; 116.897; 90 | 2073.42 | Doebelin, N.; Armbruster, T. Stepwise dehydration of Sr-exchanged heulandite: a single-crystal X-ray study American Mineralogist, 2003, 88, 527-533 |
| 1531632 | CIF | Al Cu In O4 | C 1 m 1 | 5.728; 3.309; 8.352 90; 103.2; 90 | 154.121 | Kutoglu, A.; Roesler, A.; Reinen, D. Die Cu Al In O4-Struktur - roentgenographische und spektroskopische Untersuchungen an Verbindungen M(II) Me(III) In O4 (M(II). Mn(II) - Zn(II), Me(III). Al, Ga) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 456, 130-146 |
| 1531759 | CIF | Ca2 Co O3 | C 1 m 1 | 4.8339; 4.5582; 10.8436 90; 98.14; 90 | 236.519 | Miyazaki, Y.; Onoda, M.; Oku, T.; Kikuchi, M.; Ishii, Y.; Ono, Y.; Morii, Y.; Kajitani, T. Modulated structure of the thermoelectric compound (Ca2 Co O3)0.62 Co O2 Journal of the Physical Society of Japan, 2002, 71, 491-497 |
| 1531762 | CIF | Co O2 | C 1 m 1 | 4.8339; 2.8238; 10.8436 90; 98.14; 90 | 146.524 | Miyazaki, Y.; Ono, Y.; Oku, T.; Kikuchi, M.; Onoda, M.; Kajitani, T.; Ishii, Y.; Morii, Y. Modulated structure of the thermoelectric compound (Ca2 Co O3)0.62 Co O2 Journal of the Physical Society of Japan, 2002, 71, 491-497 |
| 1532049 | CIF | O3 Pb Ti0.48 Zr0.52 | C 1 m 1 | 5.752; 5.7431; 4.0912 90; 90.48; 90 | 135.145 | Ragini; Ranjan, R.; Mishra, S.K.; Pandey, D. Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study Journal of Applied Physics, 2002, 92, 3266-3274 |
| 1532054 | CIF | O3 Pb Ti0.475 Zr0.525 | C 1 m 1 | 5.7532; 5.738; 4.09 90; 90.49; 90 | 135.014 | Ragini; Ranjan, R.; Pandey, D.; Mishra, S.K. Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study Journal of Applied Physics, 2002, 92, 3266-3274 |
| 1532057 | CIF | O3 Pb Ti0.47 Zr0.53 | C 1 m 1 | 5.776; 5.7508; 4.09 90; 90.471; 90 | 135.851 | Ragini; Pandey, D.; Ranjan, R.; Mishra, S.K. Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study Journal of Applied Physics, 2002, 92, 3266-3274 |
| 1532118 | CIF | Ba0.48 Fe0.66 H14.56 K4.52 Mg0.44 Na2.4 Nb3.2 O61.92 Si16 Ti4.8 | C 1 m 1 | 14.45; 13.91; 7.836 90; 117.42; 90 | 1398.08 | Rozenberg, K.A.; Rastsvetaeva, R.K.; Subbotin, V.V.; Chukanov, N.V. Acentric niobium-rich analogue of labuntsovite-Fe: crystal structure and microtwinning Kristallografiya, 2002, 47, 453-456 |
| 1533071 | CIF | Ba0.2 Ca0.7 Fe0.08 H22.68 K Mn0.1 Na Nb2.32 O64.92 Si16 Sr0.7 Ti5.68 Zn1.64 | C 1 m 1 | 14.491; 13.911; 7.822 90; 117.59; 90 | 1397.49 | Rozenberg, K.A.; Chukanov, N.V.; Rastsvetaeva, R.K.; Pekov, I.V. New zinc-rich representative of the labuntsovite group: crystal structure and microtwinning Doklady Akad. Nauk, 2002, 383, 657-660 |
| 1533072 | CIF | Ba1.51 H24.9 K3.49 Mn0.3 Na1.92 Nb1.44 O66.36 Si16 Ti6.56 Zn0.2 | C 1 m 1 | 14.326; 13.802; 7.783 90; 116.949; 90 | 1371.8 | Rozenberg, K.A.; Rastsvetaeva, R.K.; Pekov, I.V.; Chukanov, N.V. Crystal structure of the new mineral tsepinite-K Doklady Akad. Nauk, 2002, 386, 345-349 |
| 1533092 | CIF | Al8.7 Cd4.36 H58.16 O101.08 Si27.3 | C 1 m 1 | 17.721; 18.035; 7.429 90; 116.26; 90 | 2129.26 | Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials, 2003, 61, 85-103 |
| 1533093 | CIF | Al8.7 Cd4.15 H53.84 O98.92 Si27.3 | C 1 m 1 | 17.719; 18.008; 7.428 90; 116.337; 90 | 2124.13 | Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials, 2003, 61, 85-103 |
| 1533094 | CIF | Al8.7 Cd4.02 H51.16 O97.58 Si27.3 | C 1 m 1 | 17.647; 17.831; 7.407 90; 116.48; 90 | 2086.2 | Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials, 2003, 61, 85-103 |
| 1533095 | CIF | Al8.7 Cd4.05 H26.12 O85.06 Si27.3 | C 1 m 1 | 17.65; 17.525; 7.4355 90; 116.963; 90 | 2049.92 | Doebelin, N.; Armbruster, T. Stepwise dehydration and change of framework topology in Cd-exchanged heulandite Microporous and Mesoporous Materials, 2003, 61, 85-103 |
| 1533949 | CIF | Ni7 O24 P6 Tl4 | C 1 m 1 | 10.711; 14.275; 6.688 90; 103.5; 90 | 994.338 | Panahandeh, A.; Jung, W. The oxidation of heterogeneous Tl/Ni/P alloys - preparation and crystal structures of the thallium nickel phosphates Tl Ni4 (P O4)3, Tl4 Ni7 (P O4)6 and Tl2 Ni4 (P2 O7) (P O4)2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 1651-1660 |
| 1534632 | CIF | Pr8.303 Sb20.03 | C 1 m 1 | 28.591; 4.263; 13.561 90; 95.52; 90 | 1645.2 | Schmidt, T.; Altmeyer, R.O.; Jeitschko, W. The lanthanoid polyantimonides with the ideal compositions Pr5 Sb12 and Nd5 Sb12 crystallizing with a new structure type and Ho2 Sb5 with (Dy2 Sb5)-type structure Journal of Solid State Chemistry, 2003, 173, 259-272 |
| 1534635 | CIF | Nd8.303 Sb19.98 | C 1 m 1 | 28.452; 4.247; 13.459 90; 95.42; 90 | 1619.06 | Schmidt, T.; Altmeyer, R.O.; Jeitschko, W. The lanthanoid polyantimonides with the ideal compositions Pr5 Sb12 and Nd5 Sb12 crystallizing with a new structure type and Ho2 Sb5 with (Dy2 Sb5)-type structure Journal of Solid State Chemistry, 2003, 173, 259-272 |
| 1535634 | CIF | C4 H4 Er2 O12 | C 1 m 1 | 7.7734; 14.92; 4.7308 90; 90.12; 90 | 548.673 | Mueller-Buschbaum, K. Er2 (C O3)2 (C2 O4) (H2 O)2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1761-1764 |
| 1535663 | CIF | H10 Mo3 N2 O S13 | C 1 m 1 | 11.649; 16.444; 5.729 90; 117.55; 90 | 972.985 | Mueller, A.; Wittneben, V.; Krickemeyer, E.; Lemke, M.; Boegge, H. Studies on the Triangular Cluster (Mo3S13)(2-): Electronic Structure (Xalpha Calculations, XPS), Crystal Structure of (Ph4As)2(Mo3S13)*2CH3CN and a Refinement of the Crystal Structure of (NH4)2(Mo3S13)*H2O Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 605, 175-188 |
| 1535719 | CIF | C K N | C 1 m 1 | 5.5307; 5.2093; 3.7431 90; 85.58; 90 | 107.522 | Decker, D.L.; Beyerlein, R.A.; Worlton, T.G.; Roult, G. Neutron diffraction study of K C N-III and K C N-IV at high pressure Physical Review, Serie 3. B - Solid State (1,1970-17,1977), 1974, 10, 3584-3593 |
| 1535792 | CIF | Cl4 Cs2 O2 U | C 1 m 1 | 12.005; 7.697; 5.85 90; 100; 90 | 532.342 | Tutov, A.G.; Usov, O.A.; Plakhtii, V.P.; Chernenkov, Yu.P.; Bublyaev, R.A. Neutron diffraction refinement of the structure of a nonlinear optical crystal of dicesium uranyltetrachloride Cs2 U O2 Cl4 Kristallografiya, 1991, 36, 1135-1138 |
| 1535798 | CIF | B3 Ca4 Gd O10 | C 1 m 1 | 8.104; 16.03; 3.5584 90; 101.25; 90 | 453.379 | Ilyukhin, A.B.; Dzhurinskii, B.F. Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and Eu2CaO(BO3)2 Zhurnal Neorganicheskoi Khimii, 1993, 38, 917-920 |
| 1535824 | CIF | C2 H12 F6 N6 Ti | C 1 m 1 | 12.869; 7.378; 6.243 90; 114.45; 90 | 539.6 | Calov, U.; Schneider, M.; Leibnitz, P. Guanidiniumhexafluorometallate von Titan, Silicium, Germanium und Zinn. Guanidiniumpentafluorooxoniobat und Guanidiniumtetrafluorodioxowolframat Zeitschrift fuer Anorganische und Allgemeine Chemie, 1991, 604, 77-83 |
| 1536548 | CIF | B6 Ca8 O20 Sm2 | C 1 m 1 | 8.132; 16.081; 3.583 90; 101.31; 90 | 459.452 | Khamaganova, T.N.; Trunov, V.K.; Dzhurinskii, B.F. Crystal structure of calcium samarium double oxoborate Sm2Ca8O2(BO3)6 Zhurnal Neorganicheskoi Khimii, 1991, 36, 855-857 |
| 1536850 | CIF | Ba H2 Mn2 O10 Si2 Ti | C 1 m 1 | 10.7232; 13.812; 12.563 90; 119.9; 90 | 1613.03 | Rastsvetaeva, R.K.; Tamazyan, R.A.; Belakovskii, D.I.; Sokolova, E.V. Crystal structures of two modifications of natural Ba, Mn-titanium silicate. Kristallografiya, 1991, 36, 354-360 |
| 1537005 | CIF | O14 Ru3 Sn15 | C 1 m 1 | 12.39; 7.074; 12.908 90; 108.6; 90 | 1072.25 | Reichelt, W.; Simon, A.; Rademacher, O.; Oppermann, H.; Soehnel, T.; Koehler, J.; Mattausch, H.J. Condensed Ru Sn6 octahedra in Ru3 Sn15 O14 Angewandte Chemie (Edition international), 1995, 34, 2113-2114 |
| 1537624 | CIF | Al2 Ca1.23 H12 O24 Si7 | C 1 m 1 | 17.718; 17.897; 7.428 90; 116.42; 90 | 2109.4 | Alberti, A. On the crystal structure of the zeolite heulandite Tschermaks Mineralogische und Petrographische Mitteilungen (-1978), 1972, 18, 129-146 |
| 1539634 | CIF | As3 Cr4 | C 1 m 1 | 13.168; 3.542; 9.302 90; 102.19; 90 | 424.073 | Baurecht, H.E.; Nowotny, H.; Boller, H. The crystal structure of Cr4 As3 Monatshefte fuer Chemie (-108,1977), 1970, 101, 1696-1703 |
| 1539969 | CIF | Mn2 O7 P1.09 V0.91 | C 1 m 1 | 6.794; 8.621; 4.271 90; 104.07; 90 | 242.652 | Yakubovich, O.V.; Anan'eva, E.N.; Dimitrova, O.V. Crystal structure of the solid solution Mn2 (Px V1-x) (Vy P1-y) O7 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 2000, 26, 586-591 |
| 1540241 | CIF | Se7 Y4.68 | C 1 m 1 | 13.213; 3.949; 12.035 90; 104.82; 90 | 607.074 | Kim, S.-J.; Franzen, H.F. The crystal structure of a new phase in the Y - Se system Journal of the Less-Common Metals, 1988, 138, L29-L32 |
| 1540704 | CIF | Ca3 O5 Si | C 1 m 1 | 12.235; 7.073; 9.298 90; 116.31; 90 | 721.279 | Mumme, W.G. Crystal structure of tricalcium silicate from a Portland cement clinker and its application to quantitative XRD analysis N. Jb. Miner. Mh, 1995, 4, 145-160 |
| 1540705 | CIF | Ca3 O5 Si | C 1 m 1 | 33.1078; 7.0355; 18.5211 90; 94.137; 90 | 4302.88 | de la Torre, A.G.; Bruque, S.; Campo, J.; Aranda, M.A.G. The superstructure of C3S from synchrotron and neutron powder diffraction and its role in quantitative phase analyses Cement and Concrete Research, 2002, 32, 1347-1356 |
| 1540899 | CIF | Ce1.18 Cl3.63 La2 O6 Ta | C 1 m 1 | 35.283; 5.429; 9.517 90; 98.92; 90 | 1800.95 | Schaffrath, U.; Gruehn, R. Zur Praeparation und zum thermischen Verhalten von Ln2 CeTaO6Cl3 (Ln= La-Nd) und Ce3TaO5(OH)Cl3 sowie zur Struktur und Phasenbreite des thermischen Abbauproduktes "La2(Cex)(3+) (Ce1-x)(4+)TaO6Cl3-x" Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 589, 139-157 |
| 1543299 | CIF | C39 H56 Cl3 Ga Ge N4 O2 Se2 | C 1 m 1 | 16.2434; 21.8215; 7.6828 90; 110.197; 90 | 2555.76 | Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te) Chem. Sci., 2016, 7, 5462 |
| 1543302 | CIF | C39 H56 Cl3 Ga Ge N4 O2 S2 | C 1 m 1 | 16.323; 21.5944; 7.6252 90; 109.772; 90 | 2529.32 | Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te) Chem. Sci., 2016, 7, 5462 |
| 1544071 | CIF | C10 H7 Ag2 Fe N7 | C 1 m 1 | 6.734; 12.536; 9.12 90; 118.622; 90 | 675.8 | Gural'skiy, Il'ya A.; Shylin, Sergii I.; Golub, Bohdan O.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang High temperature spin crossover in [Fe(pyrazine){Ag(CN)2}2] and its solvate New J. Chem., 2016, 40, 9012 |
| 1548892 | CIF HKL Paper | Al4 Cr | C 1 m 1 | 5.1574; 17.413; 5.1107 90; 100.357; 90 | 451.49 | Fan, Changzeng; Liu, Cong Crystal structure of ω-Al~4~Cr IUCrData, 2018, 3, x180216 |
| 1548974 | CIF | H4 Mg0.24 Ni2.76 O9 Si2 | C 1 m 1 | 5.29; 9.17; 7.26 90; 90; 90 | 352 | Brindley, G. W.; Wan, H. M. Composition, structures, and thermal behavior of nickel-containing minerals in the lizardite-nepouite series American Mineralogist, 1975, 60, 863-871 |
| 1549986 | CIF | C Cs3 O8 V | C 1 m 1 | 9.447; 10.129; 6.1571 90; 123.42; 90 | 491.7 | Zou, Guohong; Lin, Zhien; Zeng, Hongmei; Jo, Hongil; Lim, Seong-Ji; You, Tae-Soo; Ok, Kang Min Cs<sub>3</sub>VO(O<sub>2</sub>)<sub>2</sub>CO<sub>3</sub>: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response. Chemical science, 2018, 9, 8957-8961 |
| 1551030 | CIF | C201 H227 N18 Ni3 | C 1 m 1 | 24.352; 26.043; 16.592 90; 122.777; 90 | 8847 | Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals Chemical Science, 2019 |
| 1552762 | CIF | C137 H190 Ag46 O76 S38 V10 | C 1 m 1 | 25.751; 30.6808; 19.5302 90; 126.577; 90 | 12391.3 | Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di Enclosing classical polyoxometallates in silver nanoclusters. Nanoscale, 2019, 11, 10927-10931 |
| 1558443 | CIF | H2 K O3 P S | C 1 m 1 | 6.549; 6.317; 5.894 90; 109.13; 90 | 230.37 | Janickis, Vitalijus; Maroy, Kjartan The Dihydrogenmonothiophosphate and Trihydrogendisulfanediphosphonate Anions. Crystal Structures of KH2SPO3 and [Co(en)2Cl2]H3S2P2O6 Acta Chemica Scandinavica, 1994, 48, 461-464 |
| 1559526 | CIF | Al13 S21 Tl3 | C 1 m 1 | 25.242; 14.9; 9.259 90; 103.81; 90 | 3381.7 | Krebs, Bernt; Greiwing, Horst Preparation and Crystal Structure of Tl3Al13S21, A Novel Ternary Sulfide Structure Type Acta Chemica Scandinavica, 1991, 45, 833-839 |
| 1562284 | CIF | Ag1.75 In Sb5.75 Se11 | C 1 m 1 | 13.4191; 4.0844; 19.1652 90; 105.83; 90 | 1010.59 | Hao, Wenyu; Han, Yemao; Huang, Rongjin; Feng, Kai; Yin, Wenlong; Yao, Jiyong; Wu, Yicheng Ag1.75InSb5.75Se11: A new noncentrosymmetric compound with congruent-melting behavior Journal of Solid State Chemistry, 2014, 218, 196-201 |
| 1564457 | CIF | B4 Cu H24 N4 O13 | C 1 m 1 | 10.419; 27.922; 8.106 90; 111.222; 90 | 2198.3 | Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T. Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals Inorganica Chimica Acta, 2020, 509, 119693 |
| 1564885 | CIF | C10 H13 Cu N5 O4 S2 | C 1 m 1 | 12.6665; 12.41; 4.8699 90; 99.2339; 90 | 755.59 | Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L. Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion Inorganica Chimica Acta, 2020, 507, 119568 |
| 1566885 | CIF | C H N O S | C 1 m 1 | 9.1813; 32.2736; 40.651 90; 96.354; 90 | 11971.5 | Zhang, Zhe; Bai, Qixia; Manandhar, Erendra; Zeng, Yunting; Wu, Tun; Wang, Ming; Yao, Liao-Yuan; Newkome, George R.; Wang, Pingshan; Xie, Tingzheng Supramolecular Cuboctahedra with Aggregation-Induced Emission Enhancement and External Binding Ability Chemical Science, 2022 |
| 2001888 | CIF Paper | C6 H8 Br N | C 1 m 1 | 8.785; 8.318; 4.92 90; 103.62; 90 | 349.4 | Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A. Structure of 4-methylpyridinium bromide Acta Crystallographica Section C, 1993, 49, 548-550 |
| 2002438 | CIF | Mn2 O20 Ta6 Zn3 | C 1 m 1 | 5.2; 14.468; 4.955 90; 90; 90 | 372.8 | Rohweder, U; Muelle-Buschbaum, Hk Zur Kristallchemie der Oxotantalate. IV. Zur Kenntnis der metastabilen Hochtemperaturverbindung Mn2 Zn3 Ta6 O20 Journal of the Less-Common Metals, 1989, 152, 7-13 |
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