Crystallography Open Database
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Result : There are 115 entries in the selection
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Searching space group like 'P 62 2 2'
| COD ID: 1008170 | |
| CIF file | Formula: - Mg2 Ni - Comments: Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30) Materials Research Bulletin 19 (1984) 895-904 Space group: P 62 2 2 Cell volume: 310.5 Cell parameters: 5.205; 5.205; 13.236; 90; 90; 120; |
| COD ID: 1008171 | |
| CIF file | Formula: - Mg2 Ni - Comments: Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30) Materials Research Bulletin 19 (1984) 895-904 Space group: P 62 2 2 Cell volume: 310.5 Cell parameters: 5.205; 5.205; 13.236; 90; 90; 120; |
| COD ID: 1008172 | |
| CIF file | Formula: - D0.3 Mg2 Ni - Comments: Soubeyroux, J L; Fruchart, D; Mikou, A; Pezat, M; Darriet, B Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30) Materials Research Bulletin 19 (1984) 895-904 Space group: P 62 2 2 Cell volume: 321.4 Cell parameters: 5.256; 5.256; 13.435; 90; 90; 120; |
| COD ID: 1008285 | |
| CIF file | Formula: - D0.3 Mg2 Ni - Comments: Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system Journal of the Less-Common Metals 103 (1984) 153-162 Space group: P 62 2 2 Cell volume: 321.4 Cell parameters: 5.256; 5.256; 13.435; 90; 90; 120; |
| COD ID: 1008286 | |
| CIF file | Formula: - D0.3 Mg2 Ni - Comments: Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system Journal of the Less-Common Metals 103 (1984) 153-162 Space group: P 62 2 2 Cell volume: 321.4 Cell parameters: 5.256; 5.256; 13.435; 90; 90; 120; |
| COD ID: 1008287 | |
| CIF file | Formula: - D0.3 Mg2 Ni - Comments: Darriet, B; Soubeyroux, J L; Pezat, M; Fruchart, D Structural and hydrogen diffusion study in the Mg~2~ Ni H~2~ system Journal of the Less-Common Metals 103 (1984) 153-162 Space group: P 62 2 2 Cell volume: 321.4 Cell parameters: 5.256; 5.256; 13.435; 90; 90; 120; |
| COD ID: 1010033 | |
| CIF file | Formula: - Cr Si2 - Comments: Boren, B Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel Arkiv foer Kemi, Mineralogi och Geologi, A 11(10) (1934) 1-28 Space group: P 62 2 2 Cell volume: 107.5 Cell parameters: 4.422; 4.422; 6.351; 90; 90; 120; |
| COD ID: 1011200 | |
| CIF file | Formula: - O2 Si - Comments: Wyckoff, Ralph W. G. XXIX. Kriterien für hexagonale Raumgruppen und die Kristallstruktur von β-quarz Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 63(1-6) (1926) 507-537 Space group: P 62 2 2 Cell volume: 119 Cell parameters: 5.013; 5.013; 5.47; 90; 90; 120; |
| COD ID: 1100019 | |
| CIF file | Formula: - O2 Si - Comments: Wright, A F; Lehmann, M S Journal of Solid State Chemistry 36 (1981) 371-380 Space group: P 62 2 2 Cell volume: 118.1 Cell parameters: 4.9977; 4.9977; 5.4601; 90; 90; 120; |
| COD ID: 1511030 | |
| CIF file | Formula: - B Ce Pt2 - Comments: Noel, H.; Almeida, M.; Potel, M.; Sologub, O.L.; Salamakha, P.S.; Godart, C. New structure type of ternary intermetallic borides Ce Pt2 B Journal of Alloys Compd. 307 (2000) 40-44 Space group: P 62 2 2 Cell volume: 205.826 Cell parameters: 5.4898; 5.4898; 7.886; 90; 90; 120; |
| COD ID: 1511208 | |
| CIF file | Formula: - B La Pt2 - Comments: Sologub, O.L.; Hiebl, K.; Salamakha, P.S. Crystal structure and physical properties of new ternary R Pt2 B compounds, R = La, Pr, Nd Solid State Communications 127 (2003) 379-383 Space group: P 62 2 2 Cell volume: 208.574 Cell parameters: 5.5222; 5.5222; 7.8978; 90; 90; 120; |
| COD ID: 1511261 | |
| CIF file | Formula: - B Nd Pt2 - Comments: Sologub, O.L.; Salamakha, P.S.; Hiebl, K. Crystal structure and physical properties of new ternary R Pt2 B compounds, R = La, Pr, Nd Solid State Communications 127 (2003) 379-383 Space group: P 62 2 2 Cell volume: 200.781 Cell parameters: 5.4242; 5.4242; 7.8799; 90; 90; 120; |
| COD ID: 1521676 | |
| CIF file | Formula: - Co K5 O46 W12 - Comments: Nolan, A.L.; Allen, C.C.; Burns, R.C.; Craig, D.C.; Lawrance, G.A. X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II) Australian Journal of Chemistry 53 (2000) 59-66 Space group: P 62 2 2 Cell volume: 3919.6 Cell parameters: 19.118; 19.118; 12.383; 90; 90; 120; |
| COD ID: 1521677 | |
| CIF file | Formula: - Co H6 K5 O43 W12 - Comments: Nolan, A.L.; Allen, C.C.; Burns, R.C.; Lawrance, G.A.; Craig, D.C. X-ray structural studies of K6 (Co(II) W12 O40) . ca 16(H2 O) and K5 (Co(III) W12 O40). ca 16(H2 O) and structural trends along the (X W12 O40)(n-) series, where X = P(V), Si(IV), Co(III) and Co(II) Australian Journal of Chemistry 53 (2000) 59-66 Space group: P 62 2 2 Cell volume: 3956.58 Cell parameters: 19.111; 19.111; 12.509; 90; 90; 120; |
| COD ID: 1522843 | |
| CIF file | Formula: - Mg2 Ni - Comments: Schefer, J.; Haelg, W.; Fischer, P.; Stucki, F.; Schlapbach, L.; Didisheim, J.J.; Yvon, K. New structure results for hydrides and deuterides of the hydrogen storage material Mg2 Ni Journal of the Less-Common Metals 74 (1980) 65-73 Space group: P 62 2 2 Cell volume: 309.105 Cell parameters: 5.198; 5.198; 13.21; 90; 90; 120; |
| COD ID: 1528655 | |
| CIF file | Formula: - Nb Si2 - Comments: Kubiak, R.; Horyn, R.; Broda, H.; Lukaszewicz, K. Refinement of the Crystal Structure of Nb Si2, Nb Ge2 and Ta Ge2 Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 20 (1972) 429-436 Space group: P 62 2 2 Cell volume: 132.575 Cell parameters: 4.819; 4.819; 6.592; 90; 90; 120; |
| COD ID: 1528656 | |
| CIF file | Formula: - Ge2 Ta - Comments: Kubiak, R.; Lukaszewicz, K.; Horyn, R.; Broda, H. Refinement of the Crystal Structure of Nb Si2, Nb Ge2 and Ta Ge2 Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques 20 (1972) 429-436 Space group: P 62 2 2 Cell volume: 142.118 Cell parameters: 4.938; 4.938; 6.73; 90; 90; 120; |
| COD ID: 1531002 | |
| CIF file | Formula: - Be F2 - Comments: Wright, A.F.; Fitch, A.N.; Wright, A.C. The preparation and structure of the alpha- and beta-quartz polymorphs of beryllium fluoride Journal of Solid State Chemistry 73 (1988) 298-304 Space group: P 62 2 2 Cell volume: 104.824 Cell parameters: 4.806; 4.806; 5.2404; 90; 90; 120; |
| COD ID: 1531931 | |
| CIF file | Formula: - Be F2 - Comments: Narten, A.H. Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C Journal of Chemical Physics 56 (1972) 1905-1909 Space group: P 62 2 2 Cell volume: 111.868 Cell parameters: 4.9; 4.9; 5.38; 90; 90; 120; |
| COD ID: 1531932 | |
| CIF file | Formula: - O1.76 Si0.88 - Comments: Narten, A.H. Diffraction pattern and structure of noncrystalline Be F2 and Si O2 at 25 C Journal of Chemical Physics 56 (1972) 1905-1909 Space group: P 62 2 2 Cell volume: 118.862 Cell parameters: 5; 5; 5.49; 90; 90; 120; |
| COD ID: 1532204 | |
| CIF file | Formula: - Nb Si2 - Comments: Tanaka, K.; Nawata, K.; Koiwa, M.; Inui, H.; Yamaguchi, M. Refinement of crystallographic parameters in refractory metal disilicides Materials Research Society Symposia Proceedings 646 (2001) N4.3.1-N4.3.5 Space group: P 62 2 2 Cell volume: 131.395 Cell parameters: 4.7974; 4.7974; 6.5923; 90; 90; 120; |
| COD ID: 1537315 | |
| CIF file | Formula: - Ca O4 S - Comments: Floerke, O.W. Kristallographische und roentgenometrische Untersuchungen im System Ca S O4 - Ca S O4 (H2 O)2 Neues Jahrbuch fuer Mineralogie. Abhandlungen (Band-Nr) (1950-) 84 (1952) 189-240 Space group: P 62 2 2 Cell volume: 268.271 Cell parameters: 6.99; 6.99; 6.34; 90; 90; 120; |
| COD ID: 1538769 | |
| CIF file | Formula: - Si2 Ta - Comments: Nowotny, H.; Benesovsky, F.; Kieffer, R.; Schachner, H. Roentgenographische Untersuchungen im System Tantal-Silizium Monatshefte fuer Chemie (-108,1977) 84 (1953) 1-12 Space group: P 62 2 2 Cell volume: 129.884 Cell parameters: 4.78; 4.78; 6.564; 90; 90; 120; |
| COD ID: 1539265 | |
| CIF file | Formula: - Ge2 Ta - Comments: Wallbaum, H.J. Ueber intermetallische Germaniumverbindungen Naturwissenschaften 32 (1944) 76-76 Space group: P 62 2 2 Cell volume: 162.857 Cell parameters: 4.958; 4.958; 7.65; 90; 90; 120; |
| COD ID: 1539274 | |
| CIF file | Formula: - Si2 Ta - Comments: Wallbaum, H.J. Disilizide des Niobs, Tantals, Vanadiums und Rheniums Zeitschrift fuer Metallkunde 33 (1941) 378-381 Space group: P 62 2 2 Cell volume: 129.267 Cell parameters: 4.773; 4.773; 6.552; 90; 90; 120; |
| COD ID: 1555209 | |
| CIF file | Formula: - C44.4 H38.4 N1.2 S1.8 - Comments: Ghosh, Arindam; Dash, Syamasrit; Srinivasan, A.; Suresh, C. H.; Peruncheralathan, S.; Chandrashekar, Tavarekere K. Core-modified 48π and 42π decaphyrins: syntheses, properties and structures Organic Chemistry Frontiers 6(22) (2019) 3746 Space group: P 62 2 2 Cell volume: 27130.8 Cell parameters: 28.8585; 28.8585; 37.617; 90; 90; 120; |
| COD ID: 1558405 | |
| CIF file | Formula: - C96 H112 Al13 Br8 Cl10 Mo6 O120 - Comments: Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix Materials Horizons 7(9) (2020) 2399-2406 Space group: P 62 2 2 Cell volume: 19649 Cell parameters: 19.805; 19.805; 57.843; 90; 90; 120; |
| COD ID: 1558406 | |
| CIF file | Formula: - C96 H108 Al13 Cl8.5 I8 Mo6 O120 - Comments: Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix Materials Horizons 7(9) (2020) 2399-2406 Space group: P 62 2 2 Cell volume: 19465 Cell parameters: 19.751; 19.751; 57.616; 90; 90; 120; |
| COD ID: 1562009 | |
| CIF file | Formula: - C135 H78 O60 P3 Zr9 - Comments: Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions 231 (2021) 168-180 Space group: P 62 2 2 Cell volume: 57495 Cell parameters: 38.1622; 38.1622; 45.5859; 90; 90; 120; |
| COD ID: 1563607 | |
| CIF file | Formula: - C68 H116 Co4 Sb4 - Comments: Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred Transfer of Polyantimony Units Chemical Science (2021) Space group: P 62 2 2 Cell volume: 5347.1 Cell parameters: 13.0892; 13.0892; 36.0383; 90; 90; 120; |
| COD ID: 1563766 | |
| CIF file | Formula: - Cu Li0.08 Mg1.93 - Comments: Braga, M.H.; Ferreira, J.J.A.; Siewenie, J.; Proffen, Th.; Vogel, S.C.; Daemen, L.L. Neutron powder diffraction and first-principles computational studies of CuLixMg2−x (x≅0.08), CuMg2, and Cu2Mg Journal of Solid State Chemistry 183(1) (2010) 10-19 Space group: P 62 2 2 Cell volume: 325.06 Cell parameters: 5.2495; 5.2495; 13.6208; 90; 90; 120; |
| COD ID: 1570661 | |
| CIF file | Formula: - C2 O - Comments: Ortín-Rubio, Borja; Rostoll-Berenguer, Jaume; Vila, Carlos; Proserpio, Davide M.; Guillerm, Vincent; Juanhuix, Judith; Imaz, Inhar; Maspoch, Daniel Net-clipping as a top-down approach for the prediction of topologies of MOFs built from reduced-symmetry linkers. Chemical science 14(45) (2023) 12984-12994 Space group: P 62 2 2 Cell volume: 10.715 Cell parameters: 1.89375; 1.89375; 3.44983; 90; 90; 120; |
| COD ID: 1571271 | |
| CIF file | Formula: - C17 H8 F6 O4 Zn - Comments: Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R. Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores. Chemical science 15(16) (2024) 5964-5972 Space group: P 62 2 2 Cell volume: 2999.66 Cell parameters: 21.2076; 21.2076; 7.7012; 90; 90; 120; |
| COD ID: 1571272 | |
| CIF file | Formula: - C17 H8 F6 O4 Zn - Comments: Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R. Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores. Chemical science 15(16) (2024) 5964-5972 Space group: P 62 2 2 Cell volume: 2996.44 Cell parameters: 21.2035; 21.2035; 7.6959; 90; 90; 120; |
| COD ID: 1571273 | |
| CIF file | Formula: - C17 H8 F6 O4 Zn - Comments: Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R. Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores. Chemical science 15(16) (2024) 5964-5972 Space group: P 62 2 2 Cell volume: 2993.9 Cell parameters: 21.2057; 21.2057; 7.6878; 90; 90; 120; |
| COD ID: 1571274 | |
| CIF file | Formula: - C17 H8 F6 O4 Zn - Comments: Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R. Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores. Chemical science 15(16) (2024) 5964-5972 Space group: P 62 2 2 Cell volume: 2995.18 Cell parameters: 21.2065; 21.2065; 7.6905; 90; 90; 120; |
| COD ID: 1571275 | |
| CIF file | Formula: - C17 H8 F6 O4 Zn - Comments: Whitehead, Bevan S.; Brennessel, William W.; Michtavy, Shane S.; Silva, Hope A.; Kim, Jaehwan; Milner, Phillip J.; Porosoff, Marc D.; Barnett, Brandon R. Selective adsorption of fluorinated super greenhouse gases within a metal-organic framework with dynamic corrugated ultramicropores. Chemical science 15(16) (2024) 5964-5972 Space group: P 62 2 2 Cell volume: 2993.81 Cell parameters: 21.2008; 21.2008; 7.6911; 90; 90; 120; |
| COD ID: 1571361 | |
| CIF file | Formula: - C36.25 H42 N9 O4.5 - Comments: Li, Xing-Chi; Cheng, Ying; Wang, Xu-Dong; Tong, Shuo; Wang, Mei-Xiang <i>De novo</i> synthesis of inherently chiral heteracalix[4]aromatics from enantioselective macrocyclization enabled by chiral phosphoric acid-catalyzed intramolecular S<sub>N</sub>Ar reaction. Chemical science 15(10) (2024) 3610-3615 Space group: P 62 2 2 Cell volume: 12199.2 Cell parameters: 17.0775; 17.0775; 48.3005; 90; 90; 120; |
| COD ID: 2011945 | |
| CIF file | Formula: - B H32 K5 O56 W12 - Comments: Fletcher, Heath; Allen, Christine C.; Burns, Robert C.; Craig, Donald C. Pentapotassium dodecatungstoborate(III) hexadecahydrate Acta Crystallographica Section C 57(5) (2001) 505-507 Space group: P 62 2 2 Cell volume: 3868.8 Cell parameters: 18.97; 18.97; 12.414; 90; 90; 120; |
| COD ID: 2018875 | |
| CIF file | Formula: - B K4.99 O50.01 W12 - Comments: Craig, D.C.; Allen, C.C.; Fletcher, H.; Burns, R.C. Pentapotassium dodecatungstoborate(III) hexadecahydrate Acta Crystallographica C (39,1983-) 57 (2001) 505-507 Space group: P 62 2 2 Cell volume: 3868.81 Cell parameters: 18.97; 18.97; 12.414; 90; 90; 120; |
| COD ID: 2210807 | |
| CIF file | Formula: - Ge H15 K2 Na O47 W12 - Comments: Han, Qiu-Xia; Wang, Jing-Ping; Song, Li-Hua K~2~NaH[GeW~12~O~40~]·7H~2~O, with a Keggin-type heteropolyoxoanion Acta Crystallographica Section E 62(10) (2006) i201-i203 Space group: P 62 2 2 Cell volume: 3949.3 Cell parameters: 19.057; 19.057; 12.557; 90; 90; 120; |
| COD ID: 2211739 | |
| CIF file | Formula: - Al1.44 Li1.44 O6 Si1.56 - Comments: Graia, Mohsen; Ksiksi, Regaya; Driss, Ahmed Li~1,44~Al~1,44~Si~1,56~O~6~ Acta Crystallographica Section E 63(1) (2007) i3-i4 Space group: P 62 2 2 Cell volume: 135.03 Cell parameters: 5.2654; 5.2654; 5.624; 90; 90; 120; |
| COD ID: 2310890 | |
| CIF file | Formula: - Re0.3 Si6 Ti2.7 - Comments: Duffin, W.J.; Parthe, E.; Norton, J.T. The structure of (Ti, Re) Si2 Acta Crystallographica (1,1948-23,1967) 17 (1964) 450-451 Space group: P 62 2 2 Cell volume: 124.709 Cell parameters: 4.705; 4.705; 6.505; 90; 90; 120; |
| COD ID: 4003425 | |
| CIF file | Formula: - C62 H62 Au6 Cu3 N22 O6 - Comments: Ovens, Jeffrey S.; Leznoff, Daniel B. Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials Chemistry of Materials 27(5) (2015) 1465 Space group: P 62 2 2 Cell volume: 5843.47 Cell parameters: 18.5292; 18.5292; 19.6529; 90; 90; 120; |
| COD ID: 4109634 | |
| CIF file | Formula: - C98.67 H99.33 Cd8 S15 - Comments: Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters Journal of the American Chemical Society 129 (2007) 8412-8413 Space group: P 62 2 2 Cell volume: 7740.1 Cell parameters: 19.7205; 19.7205; 22.9816; 90; 90; 120; |
| COD ID: 4109635 | |
| CIF file | Formula: - C182 H182 Cd17 S30 - Comments: Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters Journal of the American Chemical Society 129 (2007) 8412-8413 Space group: P 62 2 2 Cell volume: 20923 Cell parameters: 27.919; 27.919; 30.995; 90; 90; 120; |
| COD ID: 4116390 | |
| CIF file | Formula: - Al K5 O57 W12 - Comments: Ira A. Weinstock; Jennifer J. Cowan; Elena M. G. Barbuzzi; Huadong Zeng; Craig L. Hill Equilibria between α and β Isomers of Keggin Heteropolytungstates Journal of the American Chemical Society 121 (1999) 4608-4617 Space group: P 62 2 2 Cell volume: 3958.34 Cell parameters: 19.072; 19.072; 12.5658; 90; 90; 120; |
| COD ID: 4118951 | |
| CIF file | Formula: - C23 H19 Cl2 N4 O4 Zn - Comments: Guo-Qiang Kong; Sha Ou; Chao Zou; Chuan-De Wu Assembly and Post-Modification of a Metal-Organic Nanotube for Highly Efficient Catalysis Journal of the American Chemical Society 134 (2012) 19851-19857 Space group: P 62 2 2 Cell volume: 6018.5 Cell parameters: 30.0265; 30.0265; 7.7081; 90; 90; 120; |
| COD ID: 4123047 | |
| CIF file | Formula: - C16 In N2 O9.5 - Comments: Pan, Liang; Liu, Gang; Li, Hui; Meng, Sheng; Han, Lei; Shang, Jie; Chen, Bin; Platero-Prats, Ana E; Lu, Wei; Zou, Xiaodong; Li, Run-Wei A Resistance-Switchable and Ferroelectric Metal-Organic Framework. Journal of the American Chemical Society (2014) 141203161926003 Space group: P 62 2 2 Cell volume: 2460.8 Cell parameters: 15.683; 15.683; 11.5526; 90; 90; 120; |
| COD ID: 4124629 | |
| CIF file | Formula: - Ge2 Nb - Comments: Carpenter, J.H.; Searcy, A.W. Preparation, identification and chemical properties of the niobium germanides Journal of the American Chemical Society 78 (1956) 2079-2081 Space group: P 62 2 2 Cell volume: 144.823 Cell parameters: 4.966; 4.966; 6.781; 90; 90; 120; |
| COD ID: 4128685 | |
| CIF file | Formula: - C135 H78 O60 P3 Zr9 - Comments: Gong, Wei; Chen, Xu; Jiang, Hong; Chu, Dandan; Cui, Yong; Liu, Yan Highly Stable Zr(IV)-Based Metal-Organic Frameworks with Chiral Phosphoric Acids for Catalytic Asymmetric Tandem Reactions. Journal of the American Chemical Society 141(18) (2019) 7498-7508 Space group: P 62 2 2 Cell volume: 57495 Cell parameters: 38.1622; 38.1622; 45.5859; 90; 90; 120; |
| COD ID: 4131627 | |
| CIF file | Formula: - C228 H216 N32 - Comments: Qu, Hang; Wang, Yu; Li, Zhihao; Wang, Xinchang; Fang, Hongxun; Tian, Zhongqun; Cao, Xiaoyu Molecular Face-Rotating Cube with Emergent Chiral and Fluorescence Properties. Journal of the American Chemical Society 139(50) (2017) 18142-18145 Space group: P 62 2 2 Cell volume: 24932 Cell parameters: 35.6733; 35.6733; 22.6222; 90; 90; 120; |
| COD ID: 4133662 | |
| CIF file | Formula: - C24 H20 Cd N4 O8 - Comments: Qu, Liyuan; Iguchi, Hiroaki; Takaishi, Shinya; Habib, Faiza; Leong, Chanel F.; D'Alessandro, Deanna M; Yoshida, Takefumi; Abe, Hitoshi; Nishibori, Eiji; Yamashita, Masahiro Porous Molecular Conductor: Electrochemical Fabrication of Through-Space Conduction Pathways among Linear Coordination Polymers. Journal of the American Chemical Society 141(17) (2019) 6802-6806 Space group: P 62 2 2 Cell volume: 3283.3 Cell parameters: 19.9464; 19.9464; 9.529; 90; 90; 120; |
| COD ID: 4300679 | |
| CIF file | Formula: - C40 H36 F20 N Pt Tl - Comments: Inorganic Chemistry (2006) Space group: P 62 2 2 Cell volume: 3198.3 Cell parameters: 14.2476; 14.2476; 18.1928; 90; 90; 120; |
| COD ID: 4338215 | |
| CIF file | Formula: - Gd0.25 O4.25 P1.25 - Comments: Mayence, Arnaud; Navarro, Julien R. G.; Ma, Yanhang; Terasaki, Osamu; Bergström, Lennart; Oleynikov, Peter Phase identification and structure solution by three-dimensional electron diffraction tomography: gd-phosphate nanorods. Inorganic chemistry 53(10) (2014) 5067-5072 Space group: P 62 2 2 Cell volume: 260.154 Cell parameters: 6.9; 6.9; 6.3096; 90; 90; 120; |
| COD ID: 4341710 | |
| CIF file | Formula: - K4 O46.8 Si W12 - Comments: Klonowski, Peter; Goloboy, James C.; Uribe-Romo, Fernando J; Sun, Furong; Zhu, Lingyang; Gándara, Felipe; Wills, Corinne; Errington, R. John; Yaghi, Omar M.; Klemperer, Walter G. Synthesis and Characterization of the Platinum-Substituted Keggin Anion α-H2SiPtW11O40(4-) Inorganic chemistry (2014) 141119142641005 Space group: P 62 2 2 Cell volume: 3978.7 Cell parameters: 19.1618; 19.1618; 12.5124; 90; 90; 120; |
| COD ID: 4341711 | |
| CIF file | Formula: - K3 O50.13 Si W12 - Comments: Klonowski, Peter; Goloboy, James C.; Uribe-Romo, Fernando J; Sun, Furong; Zhu, Lingyang; Gándara, Felipe; Wills, Corinne; Errington, R. John; Yaghi, Omar M.; Klemperer, Walter G. Synthesis and Characterization of the Platinum-Substituted Keggin Anion α-H2SiPtW11O40(4-) Inorganic chemistry (2014) 141119142641005 Space group: P 62 2 2 Cell volume: 3978.7 Cell parameters: 19.1618; 19.1618; 12.5124; 90; 90; 120; |
| COD ID: 4502228 | |
| CIF file | Formula: - C5.5 H6.5 Cd0.25 N0.75 O2 - Comments: Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties Crystal Growth & Design 10(1) (2010) 146 Space group: P 62 2 2 Cell volume: 2697.81 Cell parameters: 16.1192; 16.1192; 11.9893; 90; 90; 120; |
| COD ID: 4502422 | |
| CIF file | Formula: - C34 H16 F12 O9 Zn2 - Comments: Jiang, Hai-Long; Liu, Bo; Xu, Qiang Rational Assembly of d10Metal−Organic Frameworks with Helical Nanochannels Based on Flexible V-Shaped Ligand Crystal Growth & Design 10(2) (2010) 806 Space group: P 62 2 2 Cell volume: 3019 Cell parameters: 21.25; 21.25; 7.72; 90; 90; 120; |
| COD ID: 4510884 | |
| CIF file | Formula: - C24 H16 Co F6 N4 O4 S2 - Comments: Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S. Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks Crystal Growth & Design 14(6) (2014) 3015 Space group: P 62 2 2 Cell volume: 2182.78 Cell parameters: 10.0494; 10.0494; 24.9574; 90; 90; 120; |
| COD ID: 4513068 | |
| CIF file | Formula: - C4 H4 N O8 Sc - Comments: Cepeda, Javier; Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; Wright, Paul A.; Sneddon, Scott; Ashbrook, Sharon E. Exploiting Synthetic Conditions to Promote Structural Diversity within the Scandium(III)/Pyrimidine-4,6-dicarboxylate System Crystal Growth & Design 15(5) (2015) 2352 Space group: P 62 2 2 Cell volume: 795.95 Cell parameters: 8.594; 8.594; 12.4441; 90; 90; 120; |
| COD ID: 5910260 | |
| CIF file | Formula: - Hg2 I Na O2 - Comments: Wyckoff, R. W. G. Pages 76 & 77 from the Structure of Crystals, vol. 4 by Wyckoff R W G. published by Interscience Publishers, Inc. in 1951 The Structure of Crystals 4 (1951) 76-77 Space group: P 62 2 2 Cell volume: 387.017 Cell parameters: 6.667; 6.667; 10.054; 90; 90; 120; |
| COD ID: 7016510 | |
| CIF file | Formula: - C10 H6.5 In O9.75 - Comments: Han, Zheng-Bo; Li, Bi-Ye; Ji, Jian-Wei; Du, Yi-En; An, Hai-Yan; Zeng, Ming-Hua A 3D chiral porous In(iii) coordination polymer with PtS topological net. Dalton transactions (Cambridge, England : 2003) 40(36) (2011) 9154-9158 Space group: P 62 2 2 Cell volume: 1342.3 Cell parameters: 9.038; 9.038; 18.975; 90; 90; 120; |
| COD ID: 7020608 | |
| CIF file | Formula: - C42 H30 Cr2 N6 O15 - Comments: Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach. Dalton transactions (Cambridge, England : 2003) 41(48) (2012) 14611-14624 Space group: P 62 2 2 Cell volume: 5977.6 Cell parameters: 13.7894; 13.7894; 36.2999; 90; 90; 120; |
| COD ID: 7021659 | |
| CIF file | Formula: - C16 H8 In O8 - Comments: Ji, Wenbin; Hu, Hailiang; Zhang, Weisong; Huang, Hui; He, Xiaodie; Han, Xiao; Zhao, Fangfang; Liu, Yang; Kang, Zhenhui Indium(iii)-dicarboxylic microporous frameworks with high adsorption selectivity for CO2 over N2. Dalton transactions (Cambridge, England : 2003) 42(30) (2013) 10690-10693 Space group: P 62 2 2 Cell volume: 2273.4 Cell parameters: 14.682; 14.682; 12.178; 90; 90; 120; |
| COD ID: 7023085 | |
| CIF file | Formula: - Ge K2 O50 W12 - Comments: Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association. Dalton transactions (Cambridge, England : 2003) 42(23) (2013) 8512-8518 Space group: P 62 2 2 Cell volume: 3970.82 Cell parameters: 19.1223; 19.1223; 12.5392; 90; 90; 120; |
| COD ID: 7023087 | |
| CIF file | Formula: - K2 O46 Si W12 - Comments: Tang, Qun; Liu, Shuxia; Liu, Yiwei; Li, Shujun; Ma, Fengji; Li, Jianxin; Wang, Shengtian; Liu, Chengzhan Assembly and spontaneous resolution of the chiral inorganic polyoxometalates-based frameworks via helical chains association. Dalton transactions (Cambridge, England : 2003) 42(23) (2013) 8512-8518 Space group: P 62 2 2 Cell volume: 3984 Cell parameters: 19.107; 19.107; 12.6; 90; 90; 120; |
| COD ID: 7032052 | |
| CIF file | Formula: - Ca1.08 Cs1.08 Gd1.92 O12 P3 - Comments: Geng, Kang; Xia, Zhiguo; Molokeev, Maxim S. Crystal structure and luminescence property of a novel blue-emitting Cs2xCa2xGd2(1-x)(PO4)2:Eu(2+) (x = 0.36) phosphor. Dalton transactions (Cambridge, England : 2003) 43(37) (2014) 14092-14098 Space group: P 62 2 2 Cell volume: 273.11 Cell parameters: 7.06272; 7.06272; 6.32218; 90; 90; 120; |
| COD ID: 7051107 | |
| CIF file | Formula: - C56 H84 Cl Co N6 O12 - Comments: Jean-Pierre Simonato; Sabrina Chappellet; Jacques Pécaut; Paul Baret; Jean-Claude Marchon Evaluation of cobalt(III) tetramethylchiroporphyrin as an analytical reagent for the determination of enantiomer composition of primary amines and aziridines by 1H NMR spectroscopy New J. Chem. 25(5) (2001) 714-720 Space group: P 62 2 2 Cell volume: 4649.37 Cell parameters: 11.8042; 11.8042; 38.5292; 90; 90; 120; |
| COD ID: 7059581 | |
| CIF file | Formula: - C276 H14 N2 O9 Pb3 - Comments: Nisa, Zaib ul; Tashi, Lobzang; Sen, Charanjeet; Ashashi, Nargis Akhter; Sahoo, Subash Chandra; Sheikh, Haq Nawaz Synthesis of eight isostructural 2D lanthanide coordination polymers assembled by rigid furan-2,5-dicarboxylic acid and flexible adipic acid as linkers and exploration of luminescent Eu/Tb polymers as efficient and sensitive sensors for nitroaromatic compounds New Journal of Chemistry 44(19) (2020) 8125-8137 Space group: P 62 2 2 Cell volume: 5257.2 Cell parameters: 17.2929; 17.2929; 20.2996; 90; 90; 120; |
| COD ID: 7107828 | |
| CIF file | Formula: - C32 H22 N4 O6 Zn - Comments: Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission Chem.Commun. 48 (2012) 5989 Space group: P 62 2 2 Cell volume: 6007.8 Cell parameters: 16.5276; 16.5276; 25.3959; 90; 90; 120; |
| COD ID: 7107830 | |
| CIF file | Formula: - C32 H21 N4 O7 Zn - Comments: Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission Chem.Commun. 48 (2012) 5989 Space group: P 62 2 2 Cell volume: 6009.1 Cell parameters: 16.5744; 16.5744; 25.2582; 90; 90; 120; |
| COD ID: 7107832 | |
| CIF file | Formula: - C32 H23 N5 O6 Zn - Comments: Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission Chem.Commun. 48 (2012) 5989 Space group: P 62 2 2 Cell volume: 5976.3 Cell parameters: 16.5755; 16.5755; 25.117; 90; 90; 120; |
| COD ID: 7107834 | |
| CIF file | Formula: - C32 H21 N5 O8 Zn - Comments: Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission Chem.Commun. 48 (2012) 5989 Space group: P 62 2 2 Cell volume: 6066.6 Cell parameters: 16.5094; 16.5094; 25.701; 90; 90; 120; |
| COD ID: 7107836 | |
| CIF file | Formula: - C33 H21 N4 O8 Zn - Comments: Feng Luo; Ming-Sheng Wang; Pei-Xin Li; Guo-Cong Guo; Ming-Biao Luo; Gong-Ming Sun; Yu-Mei Song Functionalizing the pore wall of chiral porous metal-organic frameworks by distinct -H, -OH, -NH2, -NO2, -COOH shutters showing selective adsorption of CO2, tunable photoluminescence, and direct white-light emission Chem.Commun. 48 (2012) 5989 Space group: P 62 2 2 Cell volume: 6002.9 Cell parameters: 16.5028; 16.5028; 25.4515; 90; 90; 120; |
| COD ID: 7120884 | |
| CIF file | Formula: - C9 H6 N O6 Sr - Comments: Li, Xiu-Yuan; Li, Yong-Zhi; Yang, Yun; Hou, Lei; Wang, Yao-Yu; Zhu, Zhonghua Efficient light hydrocarbon separation and CO2 capture and conversion in a stable MOF with oxalamide-decorated polar tubes Chemical Communications (2017) Space group: P 62 2 2 Cell volume: 3661.4 Cell parameters: 13.4335; 13.4335; 23.428; 90; 90; 120; |
| COD ID: 7153753 | |
| CIF file | Formula: - C66 H96 N8 O22 - Comments: Guerra, Arcadio; Brea, Roberto J.; Amorín, Manuel; Castedo, Luis; Granja, Juan R. Self-assembling properties of all γ-cyclic peptides containing sugar amino acid residues. Organic & biomolecular chemistry 10(44) (2012) 8762-8766 Space group: P 62 2 2 Cell volume: 14572.7 Cell parameters: 22.8898; 22.8898; 32.1163; 90; 90; 120; |
| COD ID: 7200317 | |
| CIF file | Formula: - C8 H14 Ag N3 - Comments: Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting 3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies CrystEngComm 11(4) (2009) 663 Space group: P 62 2 2 Cell volume: 1575.3 Cell parameters: 11.932; 11.932; 12.776; 90; 90; 120; |
| COD ID: 7209435 | |
| CIF file | Formula: - B2 Li1.2 Ni2.5 - Comments: Jung, W. Darstellung und Kristallstruktur von Mg Ni2.5 B2 und Li1.2 Ni2.5 B2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 1371-1374 Space group: P 62 2 2 Cell volume: 175.913 Cell parameters: 4.842; 4.842; 8.664; 90; 90; 120; |
| COD ID: 7209437 | |
| CIF file | Formula: - B2 Mg Ni2.5 - Comments: Jung, W. Darstellung und Kristallstruktur von Mg Ni2.5 B2 und Li1.2 Ni2.5 B2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32 (1977) 1371-1374 Space group: P 62 2 2 Cell volume: 181.784 Cell parameters: 4.887; 4.887; 8.789; 90; 90; 120; |
| COD ID: 7210726 | |
| CIF file | Formula: - C16 H4 Br Cd N0 O8 - Comments: Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units CrystEngComm 15(17) (2013) 3470 Space group: P 62 2 2 Cell volume: 2498.2 Cell parameters: 15.1245; 15.1245; 12.6105; 90; 90; 120; |
| COD ID: 7210727 | |
| CIF file | Formula: - C16 H6 Cd N2 O12 - Comments: Wang, Xiao-Feng; Zhang, Yue-Biao; Lin, Yan-Yong Achiral diamondoid or chiral quartz net: the effect of substituents in the topology and catenation of coordination polymers based on tetrahedral Cd(COO)4 building units CrystEngComm 15(17) (2013) 3470 Space group: P 62 2 2 Cell volume: 2396.2 Cell parameters: 14.6756; 14.6756; 12.8469; 90; 90; 120; |
| COD ID: 7236494 | |
| CIF file | Formula: - C12 H8.25 In0.75 N1.5 O6 - Comments: Krüger, Martin; Albat, Martin; Inge, A. Ken; Stock, Norbert Investigation of the effect of polar functional groups on the crystal structures of indium MOFs CrystEngComm 19(31) (2017) 4622 Space group: P 62 2 2 Cell volume: 2305.6 Cell parameters: 14.738; 14.738; 12.257; 90; 90; 120; |
| COD ID: 7237664 | |
| CIF file | Formula: - C53 H32 N6 O12 - Comments: Guo, Bingbing; Li, Fugang; Wang, Chiming; Zhang, Liangliang; Sun, Daofeng A rare (3,12)-connected zirconium metal‒organic framework with efficient iodine adsorption capacity and pH sensing Journal of Materials Chemistry A 7(21) (2019) 13173 Space group: P 62 2 2 Cell volume: 3129.8 Cell parameters: 16.1173; 16.1173; 13.9126; 90; 90; 120; |
| COD ID: 7240489 | |
| CIF file | Formula: - C4 N O10 Sc - Comments: Huskić, Igor; Arhangelskis, Mihails; Friščić, Tomislav Solvent-free ageing reactions of rare earth element oxides: from geomimetic synthesis of new metal‒organic materials towards a simple, environmentally friendly separation of scandium Green Chemistry 22(13) (2020) 4364-4375 Space group: P 62 2 2 Cell volume: 790.82 Cell parameters: 9.0093; 9.0093; 11.2503; 90; 90; 120; |
| COD ID: 7702134 | |
| CIF file | Formula: - C42 H46 Co N6 Ni2 O24 - Comments: Kumar, Gulshan; Hussain, Firasat; Gupta, Rajeev Carbon-sulphur cross coupling reactions catalyzed by nickel-based coordination polymers based on metalloligands. Dalton transactions (Cambridge, England : 2003) 46(43) (2017) 15023-15031 Space group: P 62 2 2 Cell volume: 6745 Cell parameters: 27.857; 27.857; 10.0365; 90; 90; 120; |
| COD ID: 8104230 | |
| CIF file | Formula: - Al1.32 Li1.146 O6 Si1.68 - Comments: Li Chi-Tang The crystal structure of Li2 Al2 Si3 O10 (high-quartz solid solution) Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 132 (1970) 118-128 Space group: P 62 2 2 Cell volume: 130.019 Cell parameters: 5.238; 5.238; 5.472; 90; 90; 120; |
| COD ID: 8104270 | |
| CIF file | Formula: - Al1.2 Mg0.6 O6 Si1.8 - Comments: Schulz, H.; Hoffmann, W.; Muchow, G.M. The average structure of Mg (Al2 Si3 O10), a stuffed derivative of the high-quartz structure Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 134 (1971) 1-27 Space group: P 62 2 2 Cell volume: 124.649 Cell parameters: 5.182; 5.182; 5.36; 90; 90; 120; |
| COD ID: 8104280 | |
| CIF file | Formula: - Al0.5 Li0.5 O2 Si0.5 - Comments: Tscherry, V.; Schulz, H.; Laves, F. Average and superstructure of beta-Eucryptite (Li Al Si O4). Part I. Average structure Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 135 (1972) 161-174 Space group: P 62 2 2 Cell volume: 132.911 Cell parameters: 5.2409; 5.2409; 5.5875; 90; 90; 120; |
| COD ID: 9002378 | |
| CIF file | Formula: - Al Li O4 Si - Comments: Xu, H.; Heaney, P. J.; Beall, G. H. Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=0, ordered LiAlSiO4, beta eucryptite structure American Mineralogist 85 (2000) 971-979 Space group: P 62 2 2 Cell volume: 1068.31 Cell parameters: 10.4971; 10.4971; 11.19513; 90; 90; 120; |
| COD ID: 9002379 | |
| CIF file | Formula: - Al Li O4 Si - Comments: Xu, H.; Heaney, P. J.; Beall, G. H. Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.2, Li.8Al.8Si1.2O4, beta eucryptite structure American Mineralogist 85 (2000) 971-979 Space group: P 62 2 2 Cell volume: 1045.91 Cell parameters: 10.4949; 10.4949; 10.965; 90; 90; 120; |
| COD ID: 9002380 | |
| CIF file | Formula: - Al0.33 Li0.33 O2 Si0.67 - Comments: Xu, H.; Heaney, P. J.; Beall, G. H. Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.33, Li.67Al.67Si1.33O4, beta quartz structure American Mineralogist 85 (2000) 971-979 Space group: P 62 2 2 Cell volume: 128.246 Cell parameters: 5.2102; 5.2102; 5.4551; 90; 90; 120; |
| COD ID: 9002381 | |
| CIF file | Formula: - Al0.25 Li0.25 O2 Si0.75 - Comments: Xu, H.; Heaney, P. J.; Beall, G. H. Phase transitions induced by solid solution in stuffed derivatives of quartz: A powder synchrotron XRD study of the LiAlSiO4-SiO2 join Sample: x=.50, Li.5Al.5Si1.5O4, beta quartz structure American Mineralogist 85 (2000) 971-979 Space group: P 62 2 2 Cell volume: 125.883 Cell parameters: 5.1609; 5.1609; 5.4574; 90; 90; 120; |
| COD ID: 9005025 | |
| CIF file | Formula: - O2 Si - Comments: Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 848 K European Journal of Mineralogy 2 (1990) 63-77 Space group: P 62 2 2 Cell volume: 117.982 Cell parameters: 4.9965; 4.9965; 5.457; 90; 90; 120; |
| COD ID: 9005026 | |
| CIF file | Formula: - O2 Si - Comments: Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 854 K European Journal of Mineralogy 2 (1990) 63-77 Space group: P 62 2 2 Cell volume: 118.009 Cell parameters: 4.9968; 4.9968; 5.4576; 90; 90; 120; |
| COD ID: 9005027 | |
| CIF file | Formula: - O2 Si - Comments: Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 859 K European Journal of Mineralogy 2 (1990) 63-77 Space group: P 62 2 2 Cell volume: 118.024 Cell parameters: 4.9973; 4.9973; 5.4572; 90; 90; 120; |
| COD ID: 9005028 | |
| CIF file | Formula: - O2 Si - Comments: Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 869 K European Journal of Mineralogy 2 (1990) 63-77 Space group: P 62 2 2 Cell volume: 118.019 Cell parameters: 4.9971; 4.9971; 5.4574; 90; 90; 120; |
| COD ID: 9005029 | |
| CIF file | Formula: - O2 Si - Comments: Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 891 K European Journal of Mineralogy 2 (1990) 63-77 Space group: P 62 2 2 Cell volume: 118.013 Cell parameters: 4.9972; 4.9972; 5.4569; 90; 90; 120; |
| COD ID: 9005030 | |
| CIF file | Formula: - O2 Si - Comments: Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 920 K European Journal of Mineralogy 2 (1990) 63-77 Space group: P 62 2 2 Cell volume: 118.017 Cell parameters: 4.9972; 4.9972; 5.4571; 90; 90; 120; |
| COD ID: 9005031 | |
| CIF file | Formula: - O2 Si - Comments: Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 972 K European Journal of Mineralogy 2 (1990) 63-77 Space group: P 62 2 2 Cell volume: 118.026 Cell parameters: 4.9977; 4.9977; 5.4564; 90; 90; 120; |
| COD ID: 9005032 | |
| CIF file | Formula: - O2 Si - Comments: Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 1012 K European Journal of Mineralogy 2 (1990) 63-77 Space group: P 62 2 2 Cell volume: 117.919 Cell parameters: 4.9964; 4.9964; 5.4543; 90; 90; 120; |
| COD ID: 9005033 | |
| CIF file | Formula: - O2 Si - Comments: Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 1078 K European Journal of Mineralogy 2 (1990) 63-77 Space group: P 62 2 2 Cell volume: 117.93 Cell parameters: 4.9965; 4.9965; 5.4546; 90; 90; 120; |
| COD ID: 9006413 | |
| CIF file | Formula: - Al O4 P - Comments: Muraoka, Y.; Kihara, K. The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 585 C Physics and Chemistry of Minerals 24 (1997) 243-253 Space group: P 62 2 2 Cell volume: 243.199 Cell parameters: 5.0387; 5.0387; 11.061; 90; 90; 120; |
| COD ID: 9006414 | |
| CIF file | Formula: - Al O4 P - Comments: Muraoka, Y.; Kihara, K. The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 589 C Physics and Chemistry of Minerals 24 (1997) 243-253 Space group: P 62 2 2 Cell volume: 243.369 Cell parameters: 5.04; 5.04; 11.063; 90; 90; 120; |
| COD ID: 9006415 | |
| CIF file | Formula: - Al O4 P - Comments: Muraoka, Y.; Kihara, K. The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 598 C Physics and Chemistry of Minerals 24 (1997) 243-253 Space group: P 62 2 2 Cell volume: 243.325 Cell parameters: 5.04; 5.04; 11.061; 90; 90; 120; |
| COD ID: 9006416 | |
| CIF file | Formula: - Al O4 P - Comments: Muraoka, Y.; Kihara, K. The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 612 C Physics and Chemistry of Minerals 24 (1997) 243-253 Space group: P 62 2 2 Cell volume: 243.378 Cell parameters: 5.0401; 5.0401; 11.063; 90; 90; 120; |
| COD ID: 9006417 | |
| CIF file | Formula: - Al O4 P - Comments: Muraoka, Y.; Kihara, K. The temperature dependence of the crystal structure of berlinite, a quartz-type form of AlPO4 Sample: T = 631 C Physics and Chemistry of Minerals 24 (1997) 243-253 Space group: P 62 2 2 Cell volume: 243.388 Cell parameters: 5.0402; 5.0402; 11.063; 90; 90; 120; |
| COD ID: 9008092 | |
| CIF file | Formula: - O2 Si - Comments: Arnold, H. Die struktur des hochquarzes Note: sample is at T = 650 deg C Note: symmetry constraints on the temperature factors were applied incorrectly Zeitschrift fur Kristallographie 117 (1962) 467-469 Space group: P 62 2 2 Cell volume: 118.903 Cell parameters: 5.01; 5.01; 5.47; 90; 90; 120; |
| COD ID: 9008152 | |
| CIF file | Formula: - Al0.333 Li0.333 O2 Si0.667 - Comments: Li, C. T. The crystal structure of LiAlSi2O6 III (high-quartz solid solution) Zeitschrift fur Kristallographie 127 (1968) 327-348 Space group: P 62 2 2 Cell volume: 128.79 Cell parameters: 5.217; 5.217; 5.464; 90; 90; 120; |
| COD ID: 9009366 | |
| CIF file | Formula: - Al0.333 H0.167 Na0.167 O2 Si0.667 - Comments: Muller, G.; Paulus, H.; Stiefel, J. Synthesis and structure of beta-quartz type Na0.5H0.5AlSi206 as compared to LiAlSi206 Note: stuffed beta-quartz type structure Sample: ref 2 Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 493-503 Space group: P 62 2 2 Cell volume: 125.366 Cell parameters: 5.15; 5.15; 5.458; 90; 90; 120; |
| COD ID: 9009367 | |
| CIF file | Formula: - Al0.333 Li0.333 O2 Si0.667 - Comments: Muller, G.; Paulus, H.; Stiefel, J. Synthesis and structure of beta-quartz type Na0.5H0.5AlSi206 as compared to LiAlSi206 Note: stuffed beta-quartz type structure Neues Jahrbuch fur Mineralogie, Monatshefte 1990 (1990) 493-503 Space group: P 62 2 2 Cell volume: 129.259 Cell parameters: 5.226; 5.226; 5.465; 90; 90; 120; |
| COD ID: 9010969 | |
| CIF file | Formula: - Ce O4 P - Comments: Mooney, R. C. L. X-ray diffraction study of cerous phosphate and related crystals I. Hexagonal modification Acta Crystallographica 3 (1950) 337-340 Space group: P 62 2 2 Cell volume: 277.551 Cell parameters: 7.055; 7.055; 6.439; 90; 90; 120; |
| COD ID: 9012531 | |
| CIF file | Formula: - Hg2 I Na O2 - Comments: Aurivillius, K. Least-squares refinement of the crystal structures of orthorhombic HgO and of Hg2O2NaI Locality: synthetic Acta Chemica Scandinavica 18 (1964) 1305-1306 Space group: P 62 2 2 Cell volume: 387.017 Cell parameters: 6.667; 6.667; 10.054; 90; 90; 120; |
| COD ID: 9016737 | |
| CIF file | Formula: - Ca O4 S - Comments: Lager, G. A.; Armbruster, T.; Rotella, F. J.; Jorgensen, J. D.; Hinks, D. G. A crystallographic study of the low-temperature dehydration products of gypsum CaSO4*2H2O: hemihydrate CaSO4*0.50H2O, and gamma-CaSO4 Note: gamma-CaSO4 American Mineralogist 69 (1984) 910-918 Space group: P 62 2 2 Cell volume: 265.149 Cell parameters: 6.9694; 6.9694; 6.3033; 90; 90; 120; |
| COD ID: 9017401 | |
| CIF file | Formula: - Ca O4 S - Comments: Christensen, A.; Olesen, M.; Cerenius, Y.; Jensen, T. Formation and transformation of five different phases in the CaSO4-H2O system: crystal structure of the subhydrate beta-CaSO4*0.5H2O and soluble anhydrite CaSO4 Chemistry of Materials 20 (2008) 2124-2132 Space group: P 62 2 2 Cell volume: 264.983 Cell parameters: 6.96895; 6.96865; 6.30044; 90; 90; 120; |
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