Crystallography Open Database
Search results
Result: there are 3816 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching volume of publication is 32
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7053719 | CIF | C75 H103 N8 O19.5 Zn4 | P -1 | 10.184; 11.268; 19.979 92.722; 104.558; 111.284 | 2043.1 | Fondo, Matilde; García-Deibe, Ana M.; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Oliveira, Elisabete; Lodeiro, Carlos From dinuclear to tetranuclear zinc complexes through carboxylate donors: structural and luminescence studies New Journal of Chemistry, 2008, 32, 247 |
| 7053720 | CIF | C59.75 H68 N8.5 O15 Zn4 | P 1 21/c 1 | 16.69; 18.584; 23.409 90; 97.59; 90 | 7197.1 | Fondo, Matilde; García-Deibe, Ana M.; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Oliveira, Elisabete; Lodeiro, Carlos From dinuclear to tetranuclear zinc complexes through carboxylate donors: structural and luminescence studies New Journal of Chemistry, 2008, 32, 247 |
| 7053721 | CIF | C58.25 H61.5 Br6 N8 O17.25 Zn4 | P 1 21/c 1 | 19.312; 22.964; 17.884 90; 106.233; 90 | 7615 | Fondo, Matilde; García-Deibe, Ana M.; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Oliveira, Elisabete; Lodeiro, Carlos From dinuclear to tetranuclear zinc complexes through carboxylate donors: structural and luminescence studies New Journal of Chemistry, 2008, 32, 247 |
| 7053722 | CIF | C6 H5 Cl N6 | P 1 c 1 | 4.2896; 5.4645; 17.528 90; 91.449; 90 | 410.73 | Casarin, Maurizio; Garau, Federica; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Venzo, Alfonso An experimental and theoretical investigation of the molecular and electronic structure of 2-amino-4-chloro-6-pyrazolyl-[1,3,5]triazine, forming supramolecular linear tapes in the solid state New Journal of Chemistry, 2008, 32, 358 |
| 7053723 | CIF | C35 H37 N4 O2 P Pt | P 1 21/c 1 | 8.7388; 14.988; 25.469 90; 94.227; 90 | 3326.8 | Fuentes, José A.; Clarke, Matthew L.; Z. Slawin, Alexandra M. A supramolecular approach to chiral ligand modification: coordination chemistry of a multifunctionalised tridentate amine-phosphine ligand New Journal of Chemistry, 2008, 32, 689 |
| 7053726 | CIF | C19 H16 Fe N2 | P 1 21/c 1 | 15.073; 7.7163; 12.8686 90; 104.784; 90 | 1447.17 | Horvath, Ulrike E. I.; Bentivoglio, Gino; Hummel, Michael; Schottenberger, Herwig; Wurst, Klaus; Nell, Margo J.; van Rensburg, Constance E. J.; Cronje, Stephanie; Raubenheimer, Helgard G. A cytotoxic bis(carbene)gold(i) complex of ferrocenyl complexes: synthesis and structural characterisation New Journal of Chemistry, 2008, 32, 533 |
| 7053727 | CIF | C23 H23 B F4 Fe N2 | P 1 21/n 1 | 9.891; 18.733; 11.4611 90; 99.699; 90 | 2093.3 | Horvath, Ulrike E. I.; Bentivoglio, Gino; Hummel, Michael; Schottenberger, Herwig; Wurst, Klaus; Nell, Margo J.; van Rensburg, Constance E. J.; Cronje, Stephanie; Raubenheimer, Helgard G. A cytotoxic bis(carbene)gold(i) complex of ferrocenyl complexes: synthesis and structural characterisation New Journal of Chemistry, 2008, 32, 533 |
| 7053728 | CIF | C48 H48 Au B Cl4 F4 Fe2 N4 | R -3 :H | 22.0699; 22.0699; 25.746 90; 90; 120 | 10860 | Horvath, Ulrike E. I.; Bentivoglio, Gino; Hummel, Michael; Schottenberger, Herwig; Wurst, Klaus; Nell, Margo J.; van Rensburg, Constance E. J.; Cronje, Stephanie; Raubenheimer, Helgard G. A cytotoxic bis(carbene)gold(i) complex of ferrocenyl complexes: synthesis and structural characterisation New Journal of Chemistry, 2008, 32, 533 |
| 7053729 | CIF | C24 H21 Fe N3 O2 | P 1 21/c 1 | 15.3994; 9.3582; 14.7688 90; 110.351; 90 | 1995.49 | Arroyo, Marta; Birkin, Peter R.; Gale, Philip A.; García-Garrido, Sergio E.; Light, Mark E. Anion-triggered electrodeposition in ferrocene-functionalised ortho-phenylenediamine-based receptors New Journal of Chemistry, 2008, 32, 1221 |
| 7053730 | CIF | C62 H61 Cu2 Gd2 N10 O28.5 | P 1 21/n 1 | 12.555; 30.99; 18.6914 90; 108.095; 90 | 6912.8 | Novitchi, Ghenadie; Costes, Jean-Pierre; Tuchagues, Jean-Pierre; Vendier, Laure; Wernsdorfer, Wolfgang A single molecule magnet (SMM) with a helicate structure New Journal of Chemistry, 2008, 32, 197 |
| 7053731 | CIF | C62 H73 F36 N7 P6 | P 1 21/c 1 | 27.132; 9.4203; 30.586 90; 103.68; 90 | 7596 | Dickson, Sara Jane; Wallace, Emma V. B.; Swinburne, Adam N.; Paterson, Martin J.; Lloyd, Gareth O.; Beeby, Andrew; Belcher, Warwick J.; Steed, Jonathan W. Intramolecular binding site competition as a means of tuning the response of a colourimetric anion sensor New Journal of Chemistry, 2008, 32, 786 |
| 7053732 | CIF | C27 H36 Cl3 N4 O5 Pr | P b c n | 23.061; 13.5958; 20.094 90; 90; 90 | 6300.1 | Bučar, Dejan-Krešimir; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; MacGillivray, Leonard R. A lanthanide-based helicate coordination polymer derived from a rigid monodentate organic bridge synthesized in the solid state New Journal of Chemistry, 2008, 32, 797 |
| 7053733 | CIF | C49.59 H52.85 N11 O13.84 Pr | C 1 2/c 1 | 23.02; 16.8687; 13.8344 90; 96.593; 90 | 5336.6 | Bučar, Dejan-Krešimir; Papaefstathiou, Giannis S.; Hamilton, Tamara D.; MacGillivray, Leonard R. A lanthanide-based helicate coordination polymer derived from a rigid monodentate organic bridge synthesized in the solid state New Journal of Chemistry, 2008, 32, 797 |
| 7053734 | CIF | C70 H79 N O4 | P 1 21 1 | 12.305; 12.911; 19.409 90; 105.578; 90 | 2970.2 | Solovyov, Andrew; Notestein, Justin M.; Durkin, Kathleen A.; Katz, Alexander Graftable chiral ligands for surface organometallic materials: calixarenes bearing asymmetric centers directly attached to the lower rim New Journal of Chemistry, 2008, 32, 1314 |
| 7053735 | CIF | C78 H110 N2 O12 | P 1 21 1 | 13.17; 19.498; 14.88 90; 107.687; 90 | 3640.4 | Solovyov, Andrew; Notestein, Justin M.; Durkin, Kathleen A.; Katz, Alexander Graftable chiral ligands for surface organometallic materials: calixarenes bearing asymmetric centers directly attached to the lower rim New Journal of Chemistry, 2008, 32, 1314 |
| 7053736 | CIF | C28 H18 N3 O3 Re | P 1 21/n 1 | 11.039; 11.132; 20.671 90; 102.729; 90 | 2478 | Cuesta, Luciano; Morales, Dolores; Pérez, Julio; Miguel, Daniel A new route for the synthesis of an alkylideneamido complex New Journal of Chemistry, 2008, 32, 917 |
| 7053737 | CIF | C19 H14 Cl F6 N3 O3 P Re | P 1 21/c 1 | 13.7391; 11.559; 14.6082 90; 100.743; 90 | 2279.27 | Amoroso, Angelo J.; Arthur, Richard J.; Coogan, Michael P.; Court, Jonathan B.; Fernández-Moreira, Vanesa; Hayes, Anthony J.; Lloyd, David; Millet, Coralie; Pope, Simon J. A. 3-Chloromethylpyridyl bipyridine fac-tricarbonyl rhenium: a thiol-reactive luminophore for fluorescence microscopy accumulates in mitochondria New Journal of Chemistry, 2008, 32, 1097 |
| 7053738 | CIF | C8 H10 N2 O4 S | P n a 21 | 19.4965; 8.5428; 6.2274 90; 90; 90 | 1037.2 | Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J. Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts New Journal of Chemistry, 2008, 32, 1953 |
| 7053739 | CIF | C10 H9 F9 N2 O4 S2 | P -1 | 10.8446; 12.866; 13.2369 90.366; 90.689; 114.836 | 1675.8 | Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J. Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts New Journal of Chemistry, 2008, 32, 1953 |
| 7053740 | CIF | C9 H7 F6 N3 O4 S2 | P 1 21/n 1 | 11.4431; 11.8766; 12.1955 90; 114.779; 90 | 1504.8 | Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J. Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts New Journal of Chemistry, 2008, 32, 1953 |
| 7053741 | CIF | C10 H10 F6 N3 O4 S2 | C 1 c 1 | 9.7224; 10.7874; 16.19 90; 103.573; 90 | 1650.6 | Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J. Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts New Journal of Chemistry, 2008, 32, 1953 |
| 7053742 | CIF | C9 H7 F6 N3 O4 S2 | P 1 21/n 1 | 7.462; 26.715; 7.8762 90; 113.876; 90 | 1435.7 | Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J. Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts New Journal of Chemistry, 2008, 32, 1953 |
| 7053743 | CIF | C10 H9 F6 N3 O4 S2 | P 1 21/n 1 | 8.226; 15.886; 12.553 90; 91.871; 90 | 1640 | Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J. Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts New Journal of Chemistry, 2008, 32, 1953 |
| 7053744 | CIF | C10 H9 F6 N3 O4 S2 | P 21 21 21 | 12.29; 13.837; 19.51 90; 90; 90 | 3318 | Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Reichert, W. Matthew; Seddon, Kenneth R.; Teat, Simon J. Ionic liquid characteristics of 1-alkyl-n-cyanopyridinium and 1-alkyl-n-(trifluoromethyl)pyridinium salts New Journal of Chemistry, 2008, 32, 1953 |
| 7053745 | CIF | C12 H31.5 N O11 P0.5 S0.5 | F 2 d d | 8.71; 28.868; 31.206 90; 90; 90 | 7846 | Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation New Journal of Chemistry, 2008, 32, 1718 |
| 7053746 | CIF | C12 H31.5 O13 P0.5 Rb S0.5 | C 1 2/c 1 | 19.802; 8.447; 25.777 90; 101; 90 | 4232 | Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation New Journal of Chemistry, 2008, 32, 1718 |
| 7053747 | CIF | C12 H31.5 Cs O13 P0.5 S0.5 | C 1 2/c 1 | 19.84; 8.46; 26.19 90; 101.14; 90 | 4313 | Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation New Journal of Chemistry, 2008, 32, 1718 |
| 7053748 | CIF | C24 H58 Cs2 O24 S2 | P 1 21/n 1 | 11.064; 8.655; 22.644 90; 100.907; 90 | 2129.2 | Braga, Dario; Modena, Enrico; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia Crystal forms of highly “dynamic” 18-crown[6] complexes with M[HSO4] and M[H2PO4] (M+ = NH4+, Rb+, Cs+): thermal behaviour and solid-state preparation New Journal of Chemistry, 2008, 32, 1718 |
| 7053749 | CIF | C129.5 H126 N8 O29.5 U4 | P 1 | 11.3081; 13.0763; 21.1935 78.42; 84.284; 88.925 | 3054.79 | Cametti, Massimo; Dalla Cort, Antonella; Mandolini, Luigi; Nissinen, Maija; Rissanen, Kari Specific recognition of fluoride anion using a metallamacrocycle incorporating a uranyl-salen unit New Journal of Chemistry, 2008, 32, 1113 |
| 7053750 | CIF | C39 H38 N3 O4.5 | P 21 21 2 | 17.6804; 18.0029; 10.2337 90; 90; 90 | 3257.37 | Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties New Journal of Chemistry, 2008, 32, 1988 |
| 7053751 | CIF | C40 H39 N3 O4 | P 21 21 2 | 17.6752; 17.6984; 10.6227 90; 90; 90 | 3323 | Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties New Journal of Chemistry, 2008, 32, 1988 |
| 7053752 | CIF | C38 H34 N4 O4 | P -1 | 11.3123; 11.9398; 12.7159 72.295; 83.791; 74.991 | 1579.52 | Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties New Journal of Chemistry, 2008, 32, 1988 |
| 7053753 | CIF | C38 H35 N3 O4 | P 1 21/n 1 | 9.6286; 19.9708; 15.8164 90; 92.258; 90 | 3038.99 | Suwinska, Kinga; Shkurenko, Oleksandr; Mbemba, Cyrille; Leydier, Antoine; Jebors, Said; Coleman, Anthony W.; Matar, Rima; Falson, Pierre Trianionic calix[4]arene monoalkoxy derivatives: synthesis, solid-state structures and self-assembly properties New Journal of Chemistry, 2008, 32, 1988 |
| 7053754 | CIF | C30 H29 N2 O2.5 | P 21 21 2 | 16.2996; 24.9; 5.747 90; 90; 90 | 2332.5 | Imai, Yoshitane; Kawano, Kenta; Nakano, Yoko; Kawaguchi, Kakuhiro; Harada, Takunori; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio Control of circularly polarized luminescence (CPL) properties by supramolecular complexation New Journal of Chemistry, 2008, 32, 1110 |
| 7053755 | CIF | C16 H21 N O3 | P 1 21/n 1 | 6.541; 19.219; 12.07 90; 97.601; 90 | 1504.01 | Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia; Polito, Marco; Brescello, Roberto; Cotarca, Livius; Duarte, M. Teresa; André, Vânia; Piedade, M. Fátima M. Polymorphic gabapentin: thermal behaviour, reactivity and interconversion of forms in solution and solid-state New Journal of Chemistry, 2008, 32, 1788 |
| 7053756 | CIF | C9 H17 N O2 | P 1 21/c 1 | 14.7361; 6.6656; 9.89 90; 106.09; 90 | 933.4 | Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia; Polito, Marco; Brescello, Roberto; Cotarca, Livius; Duarte, M. Teresa; André, Vânia; Piedade, M. Fátima M. Polymorphic gabapentin: thermal behaviour, reactivity and interconversion of forms in solution and solid-state New Journal of Chemistry, 2008, 32, 1788 |
| 7053757 | CIF | C9 H17 N O2 | C 1 2/c 1 | 30.582; 5.932; 10.915 90; 108.31; 90 | 1879.9 | Braga, Dario; Grepioni, Fabrizia; Maini, Lucia; Rubini, Katia; Polito, Marco; Brescello, Roberto; Cotarca, Livius; Duarte, M. Teresa; André, Vânia; Piedade, M. Fátima M. Polymorphic gabapentin: thermal behaviour, reactivity and interconversion of forms in solution and solid-state New Journal of Chemistry, 2008, 32, 1788 |
| 7209309 | CIF | Ag As K2 | C 2 2 21 | 10.02; 7.92; 6.02 90; 90; 90 | 477.738 | Savelsberg, G.; Schaefer, H. Darstellung und Kristallstruktur von Na2 Cu P, K2 Ag As, K2 Ag Sb und K2 Ag Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 745-748 |
| 7209314 | CIF | Ag Au Cl4 | I 1 2/c 1 | 13.223; 4.101; 13.089 90; 122.72; 90 | 597.157 | Straehle, J.; Werner, W. Die Kristallstruktur des Silbertetrachloroaurats(III) Ag Au Cl4 und seine kristallchemische Verwandtschaft zum Rubidiumtetrachloro- Aurat(III) Rb Au Cl4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 741-744 |
| 7209319 | CIF | Ag Bi K2 | C 2 2 21 | 10.56; 8.38; 6.33 90; 90; 90 | 560.159 | Savelsberg, G.; Schaefer, H. Darstellung und kristallstruktur von Na2 Cu P, K2 Ag As, K2 Ag Sb und K2 Ag Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 745-748 |
| 7209345 | CIF | Ag K2 Sb | C 2 2 21 | 10.44; 8.29; 6.28 90; 90; 90 | 543.519 | Schaefer, H.; Savelsberg, G. Darstellung und kristallstruktur von Na2 Cu P, K2 Ag As, K2 Ag Sb und K2 Ag Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 745-748 |
| 7209375 | CIF | Ag8 S6 Si | P n a 21 | 15.024; 7.428; 10.533 90; 90; 90 | 1175.46 | Mandt, J.; Krebs, B. Zur Kenntnis des Argyrodit-Strukturtyps: die Kristallstruktur von Ag8 Si S6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 373-379 |
| 7209435 | CIF | B2 Li1.2 Ni2.5 | P 62 2 2 | 4.842; 4.842; 8.664 90; 90; 120 | 175.913 | 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), 1977, 32, 1371-1374 |
| 7209437 | CIF | B2 Mg Ni2.5 | P 62 2 2 | 4.887; 4.887; 8.789 90; 90; 120 | 181.784 | 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), 1977, 32, 1371-1374 |
| 7221168 | CIF | C4 H2 Cs2 N4 O Pt | P 61 | 9.687; 9.687; 19.336 90; 90; 120 | 1571.36 | Otto, H.H.; Schulz, H.; Thiemann, K.H.; Yersin, H.; Gliemann, G. Crystal structure of Cs2 (Pt (C N)4) (H2 O) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 127-130 |
| 7221171 | CIF | Hg Ni | P 4/m m m | 2.985; 2.985; 3.14 90; 90; 90 | 27.978 | Puselj, M.; Ban, Z. Preparation and crystal structure of Ni Hg Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 479-479 |
| 7221173 | CIF | K0.33 Mo O3 | C 1 2/m 1 | 14.299; 7.737; 6.394 90; 92.62; 90 | 706.637 | Schroeder, F.A.; Schuckmann, W. Beitrage zur Chemie von Molybdaen und Wolfram, XX. Verfeinerung der Kristallstruktur der roten Molybdaenbronze - K0.33 Mo O3 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 365-368 |
| 7221182 | CIF | Cl9 P V | A b m 2 | 6.212; 11.8162; 16.3071 90; 90; 90 | 1196.98 | Ziegler, M.L.; Weidenhammer, K.; Nuber, B.; Hoch, G. Die Molekuel- und Kristallstruktur von Tetrachlorophosphonium-pentachlorovanadat(IV) (P Cl4) (V Cl5) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 18-21 |
| 7221193 | CIF | Cu3 K S2 | C 1 2/m 1 | 14.773; 3.946; 8.182 90; 113.5; 90 | 437.404 | Burschka, C.; Bronger, W. K Cu3 S2, ein neues Thiocuprat Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 11-14 |
| 7221197 | CIF | Ba Mn Sb2 | I 4/m m m | 4.53; 4.53; 24.34 90; 90; 90 | 499.479 | Cordier, G.; Schaefer, H. Darstellung und Kristallstruktur von Ba Mn Sb2, Sr Mn Bi2 und Ba Mn Bi2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 383-386 |
| 7221198 | CIF | Bi2 Mn Sr | I 4/m m m | 4.58; 4.58; 23.13 90; 90; 90 | 485.184 | Cordier, G.; Schaefer, H. Darstellung und Kristallstruktur von Ba Mn Sb2, Sr Mn Bi2 und Ba Mn Bi2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 383-386 |
| 7221199 | CIF | As2 Ca Mg2 | P -3 m 1 | 4.34; 4.34; 7.13 90; 90; 120 | 116.305 | Deller, K.; Eisenmann, B. Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 612-616 |
| 7221200 | CIF | Ca Mg2 Sb2 | P -3 m 1 | 4.66; 4.66; 7.58 90; 90; 120 | 142.551 | Deller, K.; Eisenmann, B. Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 612-616 |
| 7221201 | CIF | Mg2 Sb2 Sr | P -3 m 1 | 4.7; 4.7; 7.83 90; 90; 120 | 149.792 | Deller, K.; Eisenmann, B. Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 612-616 |
| 7221202 | CIF | Ba Mg2 Sb2 | P -3 m 1 | 4.77; 4.77; 8.1 90; 90; 120 | 159.607 | Deller, K.; Eisenmann, B. Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 612-616 |
| 7221203 | CIF | Bi2 Ca Mg2 | P -3 m 1 | 4.73; 4.73; 7.68 90; 90; 120 | 148.804 | Deller, K.; Eisenmann, B. Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 612-616 |
| 7221204 | CIF | Ba Bi2 Mg2 | P -3 m 1 | 4.86; 4.86; 8.22 90; 90; 120 | 168.142 | Deller, K.; Eisenmann, B. Ternaere Erdalkali-Element(V)-Verbindungen A Mg2 B2 mit A = Ca, Sr, Ba und B = As, Sb, Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 612-616 |
| 7221205 | CIF | As4 Sr3 | F d d 2 | 14.84; 17.89; 5.97 90; 90; 90 | 1584.96 | Deller, K.; Eisenmann, B. Die Kristallstruktur des Sr3 As4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1368-1370 |
| 7221206 | CIF | K Sb Se2 | P -1 | 12.481; 6.445; 6.45 103.16; 99.25; 99.44 | 487.659 | Dittmar, G.; Schaefer, H. Zur Darstellung und Struktur von K Sb Se2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1346-1348 |
| 7221207 | CIF | Ca Cu Ge | P n a 21 | 21.36; 7.54; 4.35 90; 90; 90 | 700.587 | Doerrscheidt, W.; Niess, N.; Schaefer, H. Darstellung und Kristallstruktur von Ca Cu Ge Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 985-988 |
| 7221208 | CIF | Ba5 Sn3 | I 4/m c m | 9.02; 9.02; 16.78 90; 90; 90 | 1365.23 | Doerrscheidt, W.; Widera, A.; Schaefer, H. Darstellung und Kristallstruktur von Sr5 Sn3 und Ba5 Sn3 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1097-1099 |
| 7221209 | CIF | Al2 Mg5 Se8 | P n a 21 | 13.3; 6.32; 7.7224 90; 90; 90 | 649.114 | Dotzel, K.P.; Schaefer, H. Zur Darstellung und Kristallstruktur von Mg5 Al2 Se8 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1488-1489 |
| 7221211 | CIF | Ba Ge2 | I 41/a m d :1 | 4.755; 4.755; 14.731 90; 90; 90 | 333.068 | Evers, J.; Oehlinger, G.; Weiss, A. Kristallstruktur von Bariumdigermanid bei hohen Druecken Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1352-1353 |
| 7221217 | CIF | Ca P2 Zn2 | P -3 m 1 | 4.038; 4.038; 6.836 90; 90; 120 | 96.531 | Kluefers, P.; Mewis, A. A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2. Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 753-756 |
| 7221218 | CIF | Ca Cd2 P2 | P -3 m 1 | 4.277; 4.277; 7.031 90; 90; 120 | 111.385 | Kluefers, P.; Mewis, A. A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2. Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 753-756 |
| 7221219 | CIF | As2 Ca Zn2 | P -3 m 1 | 4.162; 4.162; 7.01 90; 90; 120 | 105.161 | Kluefers, P.; Mewis, A. A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2. Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 753-756 |
| 7221220 | CIF | As2 Ca Cd2 | P -3 m 1 | 4.391; 4.391; 7.184 90; 90; 120 | 119.957 | Kluefers, P.; Mewis, A. A B2 X2 - Verbindungen im Ca Al2 Si2-Typ. III. Zur Struktur der Verbindungen Ca Zn2 P2, Ca Cd2 P2, Ca Zn2 As2 und Ca Cd2 As2. Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 753-756 |
| 7221229 | CIF | Li2 Sb | P -6 2 c | 7.946; 7.946; 6.527 90; 90; 120 | 356.896 | Mueller, W. Darstellung und Struktur der Phase Li2 Sb Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 357-359 |
| 7221230 | CIF | Ga Li2 | C m c m | 4.562; 9.542; 4.364 90; 90; 90 | 189.968 | Mueller, W.; Stoehr, J. Die Kristallstruktur von Li2 Ga und Li3 Ga2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 631-636 |
| 7221231 | CIF | Ga2 Li3 | R -3 m :H | 4.367; 4.367; 13.896 90; 90; 120 | 229.502 | Mueller, W.; Stoehr, J. Die Kristallstruktur von Li2 Ga und Li3 Ga2 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 631-636 |
| 7221232 | CIF | Na Sn | I 41/a c d :1 | 10.46; 10.46; 17.39 90; 90; 90 | 1902.67 | Mueller, W.; Volk, K. Die Struktur des beta - Na Sn Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 709-710 |
| 7221237 | CIF | Hg Ni | P 4/m b m | 4.22; 4.22; 3.14 90; 90; 90 | 55.918 | Puselj, M.; Ban, Z. Preparation and crystal structure of Ni Hg Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 479-479 |
| 7221238 | CIF | Al Se2 Tl | I 4/m c m | 8.131; 8.131; 6.325 90; 90; 90 | 418.166 | Range, K.J.; Mahlberg, G.; Obenland, S. Hochdruckphasen von Tl Al Se2 und Tl Ga Se2 mit Tl Se-Struktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1354-1355 |
| 7221239 | CIF | Ga Se2 Tl | I 4/m c m | 8.053; 8.053; 6.417 90; 90; 90 | 416.148 | Range, K.J.; Obenland, S.; Mahlberg, G. Hochdruckphasen von Tl Al Se2 und Tl Ga Se2 mit Tl Se-Struktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1354-1355 |
| 7221240 | CIF | Cu3 O4 Ti | R -3 m :H | 3.04; 3.04; 17.193 90; 90; 120 | 137.603 | Range, K.J.; Ketterl, F. Darstellung und Kristallstruktur von alpha- und beta- Cu3 Ti O4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1356-1357 |
| 7221241 | CIF | Cu3 O4 Ti | P 63/m m c | 3.04; 3.04; 11.459 90; 90; 120 | 91.712 | Range, K.J.; Ketterl, F. Darstellung und Kristallstruktur von alpha- und beta- Cu3 Ti O4 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1356-1357 |
| 7221242 | CIF | Ba2 Cu F6 | C m c a | 15.792; 5.915; 5.814 90; 90; 90 | 543.084 | Reinen, D.; Weitzel, H. Eine Verfeinerung der Ba2 Cu F6 - Struktur. Neutronenbeugungsuntersuchung am Kristallpulver Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 476-478 |
| 7221245 | CIF | I6 Pb Tl4 | P b a m | 19.117; 9.877; 4.586 90; 90; 90 | 865.922 | Stoeger, W. Die Kristallstrukturen von Tl Pb I3 und Tl4 Pb I6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 975-981 |
| 7221251 | CIF | C3 Hg K N3 O3 | P n m a | 10.152; 3.993; 17.729 90; 90; 90 | 718.679 | Thiele, G.; Hilfrich, P. Ueber die Tricyanomercurate K Hg (N C O)3 und Rb Hg (N C O)3. Synthesen, Kristallstrukturen und Schwingungsspektren Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1239-1243 |
| 7221252 | CIF | As Be Li | P 4/n m m :1 | 3.749; 3.749; 6.219 90; 90; 90 | 87.408 | Tiburtius, C.; Schuster, H.U. Die Kristallstruktur des Li Be As Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 116-117 |
| 7221253 | CIF | As Be Na | P 63/m m c | 3.82; 3.82; 8.948 90; 90; 120 | 113.079 | Tiburtius, C.; Schuster, H.U. Na Be As (Sb) - ternaere Phasen im 'aufgefuellten' Ni As (Ni2 In)-Typ Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1133-1138 |
| 7221254 | CIF | Be Na Sb | P 63/m m c | 4.144; 4.144; 9.32 90; 90; 120 | 138.607 | Tiburtius, C.; Schuster, H.U. Na Be As (Sb) - ternaere Phasen im 'aufgefuellten' Ni As (Ni2 In)-Typ Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1133-1138 |
| 7221260 | CIF | Fe6 Ge5 Li | C 1 2/m 1 | 8.744; 5.045; 14.8412 90; 101.42; 90 | 641.735 | Welk, E.; Schuster, H.U. Li Fe6 Ge5 und Li Fe6 Ge4. Zwei Phasen mit enger Strukturbeziehung zu der Verbindung Li Fe6 Ge6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 749-752 |
| 7221261 | CIF | Fe6 Ge4 Li | C 1 2/m 1 | 8.739; 5.045; 7.17 90; 113.94; 90 | 288.918 | Welk, E.; Schuster, H.U. Li Fe6 Ge5 und Li Fe6 Ge4. Zwei Phasen mit enger Strukturbeziehung zu der Verbindung Li Fe6 Ge6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 749-752 |
| 7221262 | CIF | Al9 Ge14 Na4 | P -4 3 n | 10.704; 10.704; 10.704 90; 90; 90 | 1226.42 | Westerhaus, W.; Schuster, H.U. Darstellung und Struktur weiterer ternaerer Phasen mit modifizierter K8 Ge46 - Kaefigstruktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1365-1367 |
| 7221263 | CIF | Al23.3 Ge22.7 K8 | P -4 3 n | 10.804; 10.804; 10.804 90; 90; 90 | 1261.11 | Westerhaus, W.; Schuster, H.U. Darstellung und Struktur weiterer ternaerer Phasen mit modifizierter K8 Ge46 - Kaefigstruktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1365-1367 |
| 7221264 | CIF | Ga23 Ge23 K8 | P m -3 n | 10.762; 10.762; 10.762 90; 90; 90 | 1246.46 | Westerhaus, W.; Schuster, H.U. Darstellung und Struktur weiterer ternaerer Phasen mit modifizierter K8 Ge46 - Kaefigstruktur Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1365-1367 |
| 7221267 | CIF | Al2 Ca3 Si2 | I m m m | 4; 18.24; 4.576 90; 90; 90 | 333.865 | Widera, A.; Schaefer, H. Zur Darstellung und Struktur von A3 Al2 Si2 (a=Ca, Sr, Ba) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1349-1351 |
| 7221268 | CIF | Al2 Si2 Sr3 | I m m m | 4.07; 18.991; 4.825 90; 90; 90 | 372.941 | Widera, A.; Schaefer, H. Zur Darstellung und Struktur von A3 Al2 Si2 (a=Ca, Sr, Ba) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1349-1351 |
| 7221269 | CIF | Al2 Ba3 Si2 | I m m m | 4.204; 19.57; 5.081 90; 90; 90 | 418.025 | Widera, A.; Schaefer, H. Zur Darstellung und Struktur von A3 Al2 Si2 (a=Ca, Sr, Ba) Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1349-1351 |
| 7221339 | CIF | Sn3 Sr5 | I 4/m c m | 8.54; 8.54; 16.06 90; 90; 90 | 1171.28 | Doerrscheidt, W.; Widera, A.; Schaefer, H. Darstellung und Kristallstruktur von Sr5 Sn3 und Ba5 Sn3 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 1097-1099 |
| 7221350 | CIF | B3 Cl6 H6 N3 | P n m a | 10.343; 12.32; 8.173 90; 90; 90 | 1041.45 | Hess, H.; Lux, D.; Schwarz, W. Die Kristallstruktur von B-Hexachlor-cyclotriborazan, Cl6 B3 N3 H6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 982-984 |
| 7221357 | CIF | Ba2 Mn Te3 | P n m a | 9.72; 4.73; 18.98 90; 90; 90 | 872.617 | Matje, P.; Schaefer, H.; Mueller, W. Zur Darstellung und Kristallstruktur von Ba2 Mn Te3 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 835-836 |
| 7221368 | CIF | Cu Na2 P | C m c m | 8.67; 6.98; 5.3 90; 90; 90 | 320.738 | Savelsberg, G.; Schaefer, H. Darstellung und Kristallstruktur von Na2 Cu P, K2 Ag As, K2 Ag Sb und K2 Ag Bi Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 745-748 |
| 7221381 | CIF | I3 Pb Tl | C m c m | 4.625; 14.885; 11.857 90; 90; 90 | 816.273 | Stoeger, W. Die Kristallstrukturen von Tl Pb I3 und Tl4 Pb I6 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 975-981 |
| 7221394 | CIF | Al3 Ba10 Ge7 | P 63/m c m | 9.749; 9.749; 16.47 90; 90; 120 | 1355.64 | Widera, A.; Schaefer, H. Darstellung und Kristallstruktur von Ba10 Al3 Ge7 Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977), 1977, 32, 619-624 |
| 8000223 | CIF | As2 Pa | P 4/n m m :1 | 3.968; 3.968; 8.127 90; 90; 90 | 127.96 | Hery, Y.; Damien, D.; Haessler, M.; de Novion, C.H. Arseniures de protactinium: Pa As2 et Pa3 As4 Radiochemical and Radioanalytical Letters, 1978, 32, 283-292 |
| 9000032 | CIF | Al3 H6 O14 P S Sr | R -3 m :R | 6.89; 6.89; 6.89 60.63; 60.63; 60.63 | 234.573 | Pabst, A. Some computations on svanbergite, woodhouseite and alunite trial C American Mineralogist, 1947, 32, 16-30 |
| 9000033 | CIF | Al3 Ca H6 O14 P S | R -3 m :R | 6.75; 6.75; 6.75 62.07; 62.07; 62.07 | 227.532 | Pabst, A. Some computations on svanbergite, woodhouseite and alunite American Mineralogist, 1947, 32, 16-30 |
| 9000034 | CIF | Al3 H6 K O14 S2 | R -3 m :R | 7.058; 7.058; 7.058 59.08; 59.08; 59.08 | 243.402 | Pabst, A. Some computations on svanbergite, woodhouseite and alunite American Mineralogist, 1947, 32, 16-30 |
| 9000035 | CIF | C17 Si17 | R 3 m :H | 3.073; 3.073; 128.17 90; 90; 120 | 1048.19 | Ramsdell, L. S. Studies on silicon carbide American Mineralogist, 1947, 32, 64-82 |
| 9000036 | CIF | C29 Si29 | R 3 m :H | 3.073; 3.073; 218.65 90; 90; 120 | 1788.16 | Ramsdell, L. S. Studies on silicon carbide American Mineralogist, 1947, 32, 64-82 |
| 9000038 | CIF | Al2 Ca2 Fe H O13 Si3 | P 1 21/m 1 | 8.96; 5.63; 10.2 90; 115.4; 90 | 464.799 | Ito, T. The structure of epidote (HCa2(Al,Fe)Al2Si3O13) American Mineralogist, 1947, 32, 309-321 |
| 9000039 | CIF | Cu Fe2 S3 | P c m n | 6.463; 11.117; 6.234 90; 90; 90 | 447.908 | Buerger, M. J. The crystal structure of cubanite American Mineralogist, 1947, 32, 415-425 |
| 9000040 | CIF | Be H Na O8 Si3 | C 1 2/c 1 | 12.62; 7.37; 13.99 90; 103.72; 90 | 1264.07 | Ito, T. The structure of eudidymite (HNaBeSi3O8) Note: this structure does not make any sense American Mineralogist, 1947, 32, 442-453 |
| 9000041 | CIF | C4 Br N2 O4 | P 21 21 21 | 8.21; 18.42; 5.4 90; 90; 90 | 816.632 | Barney, E. The structure of diglycine hydrobromide American Mineralogist, 1947, 32, 685-685 |
| 9004268 | CIF | B26 Ca9 Cl4 H35 O71 | P 1 | 12.746; 13.019; 9.693 102.24; 102.1; 85.61 | 1536.1 | Grice, J. D.; Burns, P. C.; Hawthorne, F. C. Determination of the megastructures of the borate polymorphs pringleite and ruitenbergite Note: Cell angles modified by Grice, June 2002 The Canadian Mineralogist, 1994, 32, 1-14 |
| 9004269 | CIF | B26 Ca9 Cl4 H50 O71 | P 1 21 1 | 19.857; 9.708; 17.522 90; 114.68; 90 | 3069.2 | Grice, J. D.; Burns, P. C.; Hawthorne, F. C. Determination of the megastructures of the borate polymorphs pringleite and ruitenbergite The Canadian Mineralogist, 1994, 32, 1-14 |
| 9004270 | CIF | Al1.88 Ba Fe1.3 H4 Mg0.62 Mn0.08 O15 P3 | P 1 21/m 1 | 9.014; 12.074; 4.926 90; 100.48; 90 | 527.178 | Cooper, M. A.; Hawthorne, F. C. Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as agreed upon by the authors, 2006 The Canadian Mineralogist, 1994, 32, 15-19 |
| 9004271 | CIF | Al0.36 Ca2 F2 Mg4.64 Na0.98 O22 Si7.24 | C 1 2/m 1 | 9.821; 17.934; 5.282 90; 105.08; 90 | 898.281 | Boschmann, K. F.; Burns, P. C.; Hawthorne, F. C.; Raudsepp, M.; Turnock, A. C. A-site disorder in synthetic fluor-edenite, a crystal-structure study The Canadian Mineralogist, 1994, 32, 21-30 |
| 9004272 | CIF | Al7.26 B3 Ca0.2 F0.66 Fe0.03 H3.34 K0.01 Li1.05 Mn0.81 Na0.67 O30.34 Si5.82 Ti0.03 | R 3 m :H | 15.932; 15.932; 7.135 90; 90; 120 | 1568.43 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP1 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004273 | CIF | Al7.26 B3 Ca0.2 F0.66 Fe0.03 H3.3 K0.01 Li1.05 Mn0.81 Na0.67 O30.3 Si5.82 Ti0.03 | R 3 m :H | 15.932; 15.932; 7.135 90; 90; 120 | 1568.43 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP1, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004274 | CIF | Al7.14 B3 Ca0.16 F0.64 Fe0.15 H3.36 K0.01 Li1.05 Mn0.75 Na0.73 O30.36 Si5.88 Ti0.03 | R 3 m :H | 15.928; 15.928; 7.137 90; 90; 120 | 1568.08 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP2 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004275 | CIF | Al7.14 B3 Ca0.16 F0.66 Fe0.15 H3.36 K0.01 Li1.05 Mn0.75 Na0.73 O30.36 Si5.88 Ti0.03 | R 3 m :H | 15.928; 15.928; 7.137 90; 90; 120 | 1568.08 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP2, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004276 | CIF | Al6.96 B3 Ca0.15 F0.56 Fe0.66 H3.44 K0.01 Li0.9 Mn0.48 Na0.69 O30.44 Si5.88 Ti0.12 | R 3 m :H | 15.938; 15.938; 7.133 90; 90; 120 | 1569.17 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP3 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004277 | CIF | Al6.96 B3 Ca0.15 F0.54 Fe0.66 H3.42 K0.01 Li0.9 Mn0.48 Na0.69 O30.42 Si5.88 Ti0.12 | R 3 m :H | 15.938; 15.938; 7.133 90; 90; 120 | 1569.17 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: NP3, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004278 | CIF | Al7.11 B3 Ca0.06 F0.65 H3.35 K0.01 Li1.05 Mn0.81 Na0.77 O30.35 Si6 Ti0.03 | R 3 m :H | 15.872; 15.872; 7.138 90; 90; 120 | 1557.29 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T10 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004279 | CIF | Al7.11 B3 Ca0.06 F0.66 H3.3 K0.01 Li1.05 Mn0.81 Na0.77 O30.3 Si6 Ti0.03 | R 3 m :H | 15.872; 15.872; 7.138 90; 90; 120 | 1557.29 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T10, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004280 | CIF | Al7.2 B3 Ca0.05 F0.56 H3.44 K0.01 Li0.99 Mn0.84 Na0.74 O30.44 Si5.94 Ti0.03 | R 3 m :H | 15.882; 15.882; 7.123 90; 90; 120 | 1555.98 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T11 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004281 | CIF | Al7.2 B3 Ca0.05 F0.54 H3.42 K0.01 Li0.99 Mn0.84 Na0.74 O30.42 Si5.94 Ti0.03 | R 3 m :H | 15.882; 15.882; 7.123 90; 90; 120 | 1555.98 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T11, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004282 | CIF | Al7.05 B3 Ca0.04 F0.68 Fe0.06 H3.32 K0.01 Li0.99 Mn0.87 Na0.77 O30.32 Si6 Ti0.03 | R 3 m :H | 15.926; 15.926; 7.106 90; 90; 120 | 1560.88 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T12 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004283 | CIF | Al7.05 B3 Ca0.04 F0.66 Fe0.06 H3.3 K0.01 Li0.99 Mn0.87 Na0.77 O30.3 Si6 Ti0.03 | R 3 m :H | 15.926; 15.926; 7.106 90; 90; 120 | 1560.88 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T12, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004284 | CIF | Al7.32 B3 Ca0.08 F0.67 Fe0.3 H3.33 Li1.23 Mn0.15 Na0.7 O30.33 Si6 | R 3 m :H | 15.802; 15.802; 7.121 90; 90; 120 | 1539.91 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T15 The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004285 | CIF | Al7.32 B3 Ca0.08 F0.66 Fe0.3 H3.3 Li1.23 Mn0.15 Na0.7 O30.3 Si6 | R 3 m :H | 15.802; 15.802; 7.121 90; 90; 120 | 1539.91 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: T15, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004286 | CIF | Al7.74 B3 Ca0.17 F0.52 H3.48 Li1.35 Mn0.03 Na0.49 O30.48 Si5.88 | R 3 m :H | 15.854; 15.854; 7.106 90; 90; 120 | 1546.8 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: SD The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004287 | CIF | Al7.74 B3 Ca0.17 F0.48 H3.48 Li1.35 Mn0.03 Na0.49 O30.48 Si5.88 | R 3 m :H | 15.854; 15.854; 7.106 90; 90; 120 | 1546.8 | Burns, P. C.; MacDonald, D. J.; Hawthorne, F. C. The crystal chemistry of manganese-bearing elbaite Sample: SD, split atom model The Canadian Mineralogist, 1994, 32, 31-41 |
| 9004288 | CIF | Be7.24 Ca14 H6 Mn3 O58 Si14 Zn2.76 | P 1 21/c 1 | 9.068; 17.992; 14.586 90; 104.86; 90 | 2300.14 | Rouse, R. C.; Peacor, D. R.; Dunn, P. J.; Su, S.-C.; Chi, P. H.; Yeates, H. Samfowlerite, a new Ca Mn Zn beryllosilicate mineral from Franklin, New Jersey: Its characterization and crystal structure The Canadian Mineralogist, 1994, 32, 43-53 |
| 9004289 | CIF | Cl0.03 Co0.91 Cu0.02 Fe0.02 Ni0.05 Sb2.97 | I m -3 | 9.0411; 9.0411; 9.0411 90; 90; 90 | 739.033 | Dobbe, R. T. M.; Lustenhouwer, W. J.; Zakrzewski, M. A.; Goubitz, K.; Fraanje, J.; Schenk, H. Kieftite, CoSb3, a new member of the skutterudite group from Tunaberg, Sweden The Canadian Mineralogist, 1994, 32, 179-183 |
| 9004290 | CIF | Ca0.72 O5 V2 | C 1 2/m 1 | 11.68; 3.6537; 11.023 90; 105; 90 | 454.38 | Evans, H. T.; Post, J. E.; Ross, D. R.; Nelen, J. A. The crystal structure and crystal chemistry of fernandinite and corvusite Minasragu, Peru, with general formula (Ca,Na,K)x(V,Fe,Ti)8O20.4H2O The Canadian Mineralogist, 1994, 32, 339-351 |
| 9004291 | CIF | Bi2 Cu3 H6 O14 P2 | P 1 21/n 1 | 9.065; 6.34; 21.239 90; 101.57; 90 | 1195.85 | Effenberger, H.; Krause, W.; Belendorff, K.; Bernhardt, H. J.; Medenbach, O.; Hybler, J.; Petricek, V. Revision of the crystal structure of mrazekite, Bi2Cu3(OH)2O2(PO4)2.2H2O The Canadian Mineralogist, 1994, 32, 365-372 |
| 9004292 | CIF | Cu2 O26 Pb7 S4 Si2 | C 1 2/m 1 | 20.789; 5.787; 9.142 90; 91.24; 90 | 1099.58 | Cooper, M. A.; Hawthorne, F. C. The crystal structure of wherryite, Pb7Cu2(SO4)4(SiO4)2(OH)2, a mixed sulfate-silicate with [M(TO4)2] chains The Canadian Mineralogist, 1994, 32, 373-380 |
| 9004293 | CIF | K3 Mg N2 Na8 O36 S6 | R -3 :H | 10.9055; 10.9055; 24.3949 90; 90; 120 | 2512.58 | Burns, P. C.; Hawthorne, F. C. The crystal structure of humberstonite, a mixed sulfate-nitrate mineral The Canadian Mineralogist, 1994, 32, 381-385 |
| 9004294 | CIF | B11 H9 Mg3 O24 | P b c n | 16.291; 9.181; 10.571 90; 90; 90 | 1581.08 | Burns, P. C.; Hawthorne, F. C. Structure and hydrogen bonding in preobrazhenskite, a complex heteropolyhedral borate The Canadian Mineralogist, 1994, 32, 387-396 |
| 9004295 | CIF | Al0.04 B2 Fe0.48 Mg3.92 Mn1.56 O10 | P b a m | 9.198; 12.528; 2.965 90; 90; 90 | 341.664 | Burns, P. C.; Cooper, M. A.; Hawthorne, F. C. Jahn-Teller-distorted MnO6 octahedra in fredrikssonite, the fourth polymorph of Mg2Mn(BO3)O2 The Canadian Mineralogist, 1994, 32, 397-403 |
| 9004296 | CIF | C5 Ce2 Na4 O15 | P 1 21 1 | 20.872; 6.367; 10.601 90; 120.5; 90 | 1213.85 | Grice, J. D.; Velthuizen, J. V.; Gault, R. A. Petersenite-(Ce), a new mineral from Mont Saint-Hilaire, and its structural relationship to other REE carbonates The Canadian Mineralogist, 1994, 32, 405-414 |
| 9004297 | CIF | Ca0.01 H20.96 K0.8 Nb0.9 O8.64 Sr0.05 Ti0.1 | F d -3 m :2 | 10.604; 10.604; 10.604 90; 90; 90 | 1192.36 | Ercit, T. S.; Hawthorne, F. C.; Cerny, P. The structural chemistry of kalipyrochlore, a "hydropyrochlore" The Canadian Mineralogist, 1994, 32, 415-420 |
| 9004298 | CIF | Al4.93 Fe0.85 H Mg0.2 O12 Si1.9 Zn0.01 | C 1 2/m 1 | 7.864; 16.619; 5.659 90; 90.17; 90 | 739.582 | Caucia, F.; Callegari, A.; Oberti, R.; Ungaretti, L.; Hawthorne, F. C. Structural aspects of oxidation-dehydrogenation in staurolite Sample: T = 25 C The Canadian Mineralogist, 1994, 32, 477-489 |
| 9004299 | CIF | Al4.9 Fe0.85 Mg0.18 O9 Si1.9 Zn0.01 | C 1 2/m 1 | 7.866; 16.621; 5.658 90; 90.15; 90 | 739.729 | Caucia, F.; Callegari, A.; Oberti, R.; Ungaretti, L.; Hawthorne, F. C. Structural aspects of oxidation-dehydrogenation in staurolite Sample: T = 500 C, 5 h heating The Canadian Mineralogist, 1994, 32, 477-489 |
| 9004300 | CIF | Al4.89 Fe0.87 Mg0.17 O9 Si1.9 Zn0.01 | C 1 2/m 1 | 7.866; 16.621; 5.658 90; 90.15; 90 | 739.729 | Caucia, F.; Callegari, A.; Oberti, R.; Ungaretti, L.; Hawthorne, F. C. Structural aspects of oxidation-dehydrogenation in staurolite Sample: T = 500 C, 5+5 h heating The Canadian Mineralogist, 1994, 32, 477-489 |
| 9004301 | CIF | Al4.85 Fe0.86 Mg0.19 O9 Si1.9 Zn0.01 | C 1 2/m 1 | 7.865; 16.612; 5.648 90; 90.04; 90 | 737.93 | Caucia, F.; Callegari, A.; Oberti, R.; Ungaretti, L.; Hawthorne, F. C. Structural aspects of oxidation-dehydrogenation in staurolite Sample: T = 600 C The Canadian Mineralogist, 1994, 32, 477-489 |
| 9004302 | CIF | Al4.82 Fe0.83 H Mg0.19 O12 Si1.9 Zn0.01 | C 1 2/m 1 | 7.867; 16.619; 5.625 90; 90; 90 | 735.422 | Caucia, F.; Callegari, A.; Oberti, R.; Ungaretti, L.; Hawthorne, F. C. Structural aspects of oxidation-dehydrogenation in staurolite Sample: T = 700 C The Canadian Mineralogist, 1994, 32, 477-489 |
| 9004303 | CIF | Al4.82 Fe0.84 H Mg0.18 O12 Si1.9 Zn0.01 | C 1 2/m 1 | 7.861; 16.638; 5.604 90; 90; 90 | 732.955 | Caucia, F.; Callegari, A.; Oberti, R.; Ungaretti, L.; Hawthorne, F. C. Structural aspects of oxidation-dehydrogenation in staurolite Sample: T = 800 C The Canadian Mineralogist, 1994, 32, 477-489 |
| 9004304 | CIF | Al4.8 Fe0.83 H Mg0.19 O12 Si1.9 Zn0.01 | C 1 2/m 1 | 7.86; 16.645; 5.606 90; 90; 90 | 733.431 | Caucia, F.; Callegari, A.; Oberti, R.; Ungaretti, L.; Hawthorne, F. C. Structural aspects of oxidation-dehydrogenation in staurolite Sample: T = 900 C The Canadian Mineralogist, 1994, 32, 477-489 |
| 9004305 | CIF | Al4.77 Fe0.83 H Mg0.19 O12 Si1.9 Zn0.01 | C 1 2/m 1 | 7.86; 16.645; 5.606 90; 90; 90 | 733.431 | Caucia, F.; Callegari, A.; Oberti, R.; Ungaretti, L.; Hawthorne, F. C. Structural aspects of oxidation-dehydrogenation in staurolite Sample: T = 950 C The Canadian Mineralogist, 1994, 32, 477-489 |
| 9004306 | CIF | Al4.51 Fe0.77 H Li0.13 Mg0.01 O12 Si1.92 | C 1 2/m 1 | 7.863; 16.596; 5.65 90; 90.04; 90 | 737.293 | Hawthorne, F. C.; Oberti, R.; Ungaretti, L.; Caucia, F.; Callegari, A. Crystal-structure refinement of hydrogen-rich staurolite Sample: S(43) The Canadian Mineralogist, 1994, 32, 491-495 |
| 9004307 | CIF | Al4.48 Fe0.77 H Li0.07 Mg0.1 O12 Si1.92 | C 1 2/m 1 | 7.861; 16.61; 5.649 90; 90.18; 90 | 737.593 | Hawthorne, F. C.; Oberti, R.; Ungaretti, L.; Caucia, F.; Callegari, A. Crystal-structure refinement of hydrogen-rich staurolite Sample: S(44) The Canadian Mineralogist, 1994, 32, 491-495 |
| 9004308 | CIF | Al1.97 Ca Fe0.03 H3 O27 Pb3 Si10 | P 3 1 c | 8.56; 8.56; 20.19 90; 90; 120 | 1281.19 | Lam, A. E.; Groat, L. A. The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement The Canadian Mineralogist, 1994, 32, 525-532 |
| 9004309 | CIF | Al1.81 Ca Fe0.19 H3 O27 Pb3 Si10 | P 3 1 c | 8.546; 8.546; 20.168 90; 90; 120 | 1275.61 | Lam, A. E.; Groat, L. A. The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement The Canadian Mineralogist, 1994, 32, 525-532 |
| 9004310 | CIF | B6 Ca H22 Mg O22 | C 1 2/c 1 | 12.137; 7.433; 19.234 90; 90.29; 90 | 1735.16 | Burns, P. C.; Hawthorne, F. C. Structure and hydrogen bonding in inderborite, a heteropolyhedral sheet structure The Canadian Mineralogist, 1994, 32, 533-539 |
| 9004311 | CIF | Al0.068 Ca Fe0.008 Mg0.992 O6 Si1.932 | C 1 2/c 1 | 9.7429; 8.9161; 5.2557 90; 105.88; 90 | 439.132 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: single crystal SC The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004312 | CIF | Al0.078 Ca Fe0.008 Mg0.992 O6 Si1.922 | C 1 2/c 1 | 9.7476; 8.9174; 5.2573 90; 105.9; 90 | 439.498 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: SPh single phase Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004313 | CIF | Al0.078 Ca Fe0.016 Mg0.984 O6 Si1.922 | C 1 2/c 1 | 9.7501; 8.9207; 5.2593 90; 105.897; 90 | 439.947 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P1 - 9.9% olivine Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004314 | CIF | Al0.078 Ca Fe0.03 Mg0.97 O6 Si1.922 | C 1 2/c 1 | 9.7497; 8.9189; 5.2576 90; 105.903; 90 | 439.685 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P2 - 19.9% olivine Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004315 | CIF | Al0.078 Ca Fe0.018 Mg0.982 O6 Si1.922 | C 1 2/c 1 | 9.7489; 8.9181; 5.2574 90; 105.888; 90 | 439.626 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P3 - 30.6% olivine Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004316 | CIF | Al0.078 Ca Fe0.052 Mg0.948 O6 Si1.922 | C 1 2/c 1 | 9.7489; 8.9184; 5.2577 90; 105.896; 90 | 439.648 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P4 - 39.7% olivine Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004317 | CIF | Al0.078 Ca Fe0.024 Mg0.976 O6 Si1.922 | C 1 2/c 1 | 9.7485; 8.9179; 5.2566 90; 105.894; 90 | 439.518 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P5 - 49.9% olivine Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004318 | CIF | Al0.078 Ca Fe0.01 Mg0.99 O6 Si1.922 | C 1 2/c 1 | 9.7464; 8.9163; 5.2562 90; 105.897; 90 | 439.304 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P6 - 59.9% olivine Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004319 | CIF | Al0.078 Ca Fe0.008 Mg0.992 O6 Si1.922 | C 1 2/c 1 | 9.7493; 8.9142; 5.2564 90; 105.893; 90 | 439.357 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P7 - 70.0% olivine Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004320 | CIF | Al0.078 Ca Fe0.002 Mg0.998 O6 Si1.922 | C 1 2/c 1 | 9.7498; 8.916; 5.2586 90; 105.872; 90 | 439.698 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P8 - 79.9% olivine Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004321 | CIF | Al0.078 Ca Fe0.038 Mg0.962 O6 Si1.922 | C 1 2/c 1 | 9.747; 8.914; 5.259 90; 105.9; 90 | 439.446 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P9 - 89.6% olivine Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004322 | CIF | Fe0.184 Mg1.816 O4 Si | P b n m | 4.7642; 10.2258; 6.0045 90; 90; 90 | 292.526 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: single crystal SC The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004323 | CIF | Fe0.178 Mg1.822 O4 Si | P b n m | 4.7649; 10.2376; 5.9986 90; 90; 90 | 292.619 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: SPh single phase Rietveld The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004324 | CIF | Fe0.278 Mg1.722 O4 Si | P b n m | 4.7673; 10.249; 5.9996 90; 90; 90 | 293.141 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P1 Rietveld, 9.9% olivine The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004325 | CIF | Fe0.246 Mg1.754 O4 Si | P b n m | 4.7659; 10.2414; 5.9983 90; 90; 90 | 292.774 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P2 Rietveld, 19.9% olivine The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004326 | CIF | Fe0.228 Mg1.772 O4 Si | P b n m | 4.7654; 10.2396; 5.9984 90; 90; 90 | 292.697 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P3 Rietveld, 30.6% olivine The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004327 | CIF | Fe0.184 Mg1.816 O4 Si | P b n m | 4.7652; 10.2388; 5.9992 90; 90; 90 | 292.701 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P4 Rietveld, 39.7% olivine The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004328 | CIF | Fe0.196 Mg1.804 O4 Si | P b n m | 4.7651; 10.2385; 5.9983 90; 90; 90 | 292.642 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P5 Rietveld, 49.9% olivine The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004329 | CIF | Fe0.2 Mg1.8 O4 Si | P b n m | 4.7644; 10.237; 5.9975 90; 90; 90 | 292.517 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P6 Rietveld, 59.9% olivine The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004330 | CIF | Fe0.2 Mg1.8 O4 Si | P b n m | 4.7649; 10.237; 5.998 90; 90; 90 | 292.572 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P7 Rietveld, 70.0% olivine The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004331 | CIF | Fe0.19 Mg1.81 O4 Si | P b n m | 4.7659; 10.2396; 5.9993 90; 90; 90 | 292.771 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P8 Rietveld, 79.9% olivine The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004332 | CIF | Fe0.198 Mg1.802 O4 Si | P b n m | 4.766; 10.2379; 5.9992 90; 90; 90 | 292.724 | Liang, J.; Hawthorne, F. C. Characterization of fine-grained mixtures of rock-forming minerals by Rietveld structure refinement: olivine + pyroxene Sample: P9 Rietveld, 89.6% olivine The Canadian Mineralogist, 1994, 32, 541-552 |
| 9004333 | CIF | C12 H34 Ca6 Na3 O61 U4 | P n n m | 18.15; 16.866; 18.436 90; 90; 90 | 5643.59 | Vochten, R.; Haverbeke, L. V.; Springel, K. V. The structure and physicochemical characteristics of a synthetic phase compositionally intermediate between liebigite and andersonite The Canadian Mineralogist, 1994, 32, 553-561 |
| 9004334 | CIF | Ca0.475 Ce0.005 Dy0.05 Er0.02 F2.7 Gd0.045 Ho0.015 Na0.3 Nd0.005 Sm0.015 Tb0.005 Y0.36 Yb0.005 | P 63/m | 5.987; 5.987; 3.5413 90; 90; 120 | 109.929 | Hughes, J. M.; Drexler, J. W. Refinement of the structure of gagarinite-(Y), Nax(CaxREE2-x)F6 The Canadian Mineralogist, 1994, 32, 563-565 |
| 9004335 | CIF | Ca0.12 Fe0.54 H2.51 K0.2 Na0.04 O6.8 W1.46 | F d -3 m :2 | 10.352; 10.352; 10.352 90; 90; 90 | 1109.36 | Ercit, T. S.; Robinson, G. W. A refinement of the structure of ferritungstite from Kalzas mountain, Yukon, and observations on the tungsten pyrochlores Locality: Kalzas mountain, Yukon, Canada The Canadian Mineralogist, 1994, 32, 567-574 |
| 9004336 | CIF | C6 Ce3 La1.02 Na26 Nd1.98 O66 P6 S Si6 | R -3 :H | 16.02; 16.02; 19.92 90; 90; 120 | 4427.36 | McDonald, A. M.; Chao, G. Y.; Grice, J. D. Abenakiite-(Ce), a new silicophosphate carbonate mineral from Mont Saint-Hilaire, Quebec: description and structure determination The Canadian Mineralogist, 1994, 32, 843-854 |
| 9004337 | CIF | H8 Na4 O24 Si7 Zn2 | F 2 d d | 10.231; 39.91; 10.339 90; 90; 90 | 4221.61 | Ercit, T. S.; Van Velthuizen, J. Gaultite, a new zeolite-like mineral species from Mont Saint-Hilaire, Quebec, and its crystal structure Locality: Mont Saint-Hilaire, Quebec, Canada The Canadian Mineralogist, 1994, 32, 855-863 |
| 9004338 | CIF | C2 Ca Ce F O6 | C 1 2/c 1 | 12.329; 7.11; 18.741 90; 102.68; 90 | 1602.75 | Wang, L.; Ni, Y.; Hughes, J. M.; Bayliss, P.; Drexler, J. W. The atomic arrangement of synchysite-(Ce), CeCaF(CO3)2 The Canadian Mineralogist, 1994, 32, 865-871 |
| 9004339 | CIF | Fe H2 O5 S | P -1 | 5.177; 5.176; 7.608 107.57; 107.57; 93.65 | 182.581 | Giester, G.; Lengauer, C. L.; Redhammer, G. J. Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the nature of poitevinite, (Cu,Fe)SO4.H2O Sample: Fe-100 The Canadian Mineralogist, 1994, 32, 873-884 |
| 9004340 | CIF | Cu0.48 Fe0.52 H2 O5 S | P -1 | 5.12; 5.16; 7.535 107.06; 107.4; 92.73 | 179.591 | Giester, G.; Lengauer, C. L.; Redhammer, G. J. Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the nature of poitevinite, (Cu,Fe)SO4.H2O Sample: Cu-48,Fe-52 The Canadian Mineralogist, 1994, 32, 873-884 |
| 9004341 | CIF | Cu H2 O5 S | P -1 | 5.034; 5.167; 7.573 108.64; 108.41; 90.88 | 175.606 | Giester, G.; Lengauer, C. L.; Redhammer, G. J. Characterization of the FeSO4.H2O - CuSO4.H2O solid solution series, and the nature of poitevinite, (Cu,Fe)SO4.H2O Sample: Cu-100 The Canadian Mineralogist, 1994, 32, 873-884 |
| 9004342 | CIF | B12 H19 K Mg2 O30 | C 1 2/c 1 | 18.572; 8.466; 14.689 90; 100.02; 90 | 2274.33 | Burns, P. C.; Hawthorne, F. C. Kaliborite: An example of a crystallographically symmetrical hydrogen bond The Canadian Mineralogist, 1994, 32, 885-894 |
| 9004343 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.415; 8.213; 9.951 90; 114.05; 90 | 1075.83 | Burns, P. C.; Hawthorne, F. C. Hydrogen bonding in tunellite The Canadian Mineralogist, 1994, 32, 895-902 |
| 9004344 | CIF | B2 Mn O6 Sn | R -3 :H | 4.781; 4.781; 15.381 90; 90; 120 | 304.476 | Cooper, M. A.; Hawthorne, F. C.; Novak, M. The crystal structure of tusionite, MnSn(BO3)2, a dolomite-structure borate The Canadian Mineralogist, 1994, 32, 903-907 |
| 9007339 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0599; 8.7156; 6.5597 90; 113.797; 90 | 369.311 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007340 | CIF | Ca O5 Si Ti0.9 Zr0.1 | A 1 2/a 1 | 7.0788; 8.7378; 6.5754 90; 113.709; 90 | 372.383 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.1 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007341 | CIF | Ca O5 Si Ti0.81 Zr0.19 | A 1 2/a 1 | 7.0992; 8.758; 6.5894 90; 113.635; 90 | 375.329 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.2 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007342 | CIF | Ca O5 Si Ti0.71 Zr0.29 | A 1 2/a 1 | 7.1252; 8.7826; 6.6057 90; 113.553; 90 | 378.933 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.3 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007343 | CIF | Ca O5 Si Ti0.62 Zr0.38 | A 1 2/a 1 | 7.1481; 8.8011; 6.6171 90; 113.477; 90 | 381.829 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.4 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007344 | CIF | Ca O5 Si Ti0.51 Zr0.49 | A 1 2/a 1 | 7.1824; 8.8281; 6.6337 90; 113.369; 90 | 386.119 | Liferovich, R. P.; Mitchell, R. H. Crystal chemistry of titanite-structured compounds: the CaTi1-xZrxOSiO4 (x <= 0.5) series Sample: x=0.5 Physics and Chemistry of Minerals, 2005, 32, 40-51 |
| 9007345 | CIF | Al1.94 Fe0.76 Mg0.3 O4 | F d -3 m :2 | 8.1396; 8.1396; 8.1396 90; 90; 90 | 539.274 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Unannealed Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007346 | CIF | Al1.94 Fe0.77 Mg0.29 O4 | F d -3 m :2 | 8.1388; 8.1388; 8.1388 90; 90; 90 | 539.115 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 24 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007347 | CIF | Al1.94 Fe0.76 Mg0.29 O4 | F d -3 m :2 | 8.1384; 8.1384; 8.1384 90; 90; 90 | 539.035 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 72 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007348 | CIF | Al1.94 Fe0.76 Mg0.3 O4 | F d -3 m :2 | 8.138; 8.138; 8.138 90; 90; 90 | 538.956 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 116 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007349 | CIF | Al1.95 Fe0.76 Mg0.29 O4 | F d -3 m :2 | 8.138; 8.138; 8.138 90; 90; 90 | 538.956 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 500 C, t = 212 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007350 | CIF | Al1.93 Fe0.77 Mg0.29 O4 | F d -3 m :2 | 8.1366; 8.1366; 8.1366 90; 90; 90 | 538.678 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 236 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007351 | CIF | Al1.92 Fe0.76 Mg0.3 O4 | F d -3 m :2 | 8.1347; 8.1347; 8.1347 90; 90; 90 | 538.3 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 242 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007352 | CIF | Al1.91 Fe0.77 Mg0.29 O4 | F d -3 m :2 | 8.1329; 8.1329; 8.1329 90; 90; 90 | 537.943 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 260 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007353 | CIF | Al1.92 Fe0.75 Mg0.29 O4 | F d -3 m :2 | 8.1291; 8.1291; 8.1291 90; 90; 90 | 537.189 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 308 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007354 | CIF | Al1.88 Fe0.75 Mg0.29 O4 | F d -3 m :2 | 8.1198; 8.1198; 8.1198 90; 90; 90 | 535.348 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 356 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007355 | CIF | Al1.87 Fe0.74 Mg0.29 O4 | F d -3 m :2 | 8.1172; 8.1172; 8.1172 90; 90; 90 | 534.834 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 452 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007356 | CIF | Al1.84 Fe0.75 Mg0.28 O4 | F d -3 m :2 | 8.1076; 8.1076; 8.1076 90; 90; 90 | 532.938 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 596 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007357 | CIF | Al1.84 Fe0.74 Mg0.29 O4 | F d -3 m :2 | 8.1045; 8.1045; 8.1045 90; 90; 90 | 532.327 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 860 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007358 | CIF | Al1.82 Fe0.72 Mg0.29 O4 | F d -3 m :2 | 8.0989; 8.0989; 8.0989 90; 90; 90 | 531.225 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 1196 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007359 | CIF | Al1.81 Fe0.73 Mg0.29 O4 | F d -3 m :2 | 8.0975; 8.0975; 8.0975 90; 90; 90 | 530.949 | Lavina, B.; Princivalle, F.; Della Giusta, A. Controlled time-temperature oxidation reaction in a synthetic Mg-hercynite Spinel structure Sample: Annealing temperature and time T = 600 C, t = 1842 h Physics and Chemistry of Minerals, 2005, 32, 83-88 |
| 9007360 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.826; 7.826; 5.004 90; 90; 90 | 306.476 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 298 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007361 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.83; 7.83; 5.002 90; 90; 90 | 306.667 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 348 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007362 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.832; 7.832; 5.003 90; 90; 90 | 306.885 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 359 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007363 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.833; 7.833; 5.004 90; 90; 90 | 307.025 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 373 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007364 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.838; 7.838; 5.006 90; 90; 90 | 307.54 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 413 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007365 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.845; 7.845; 5.011 90; 90; 90 | 308.397 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 463 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007366 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.852; 7.852; 5.019 90; 90; 90 | 309.441 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 513 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007367 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.857; 7.857; 5.022 90; 90; 90 | 310.02 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 573 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007368 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.868; 7.868; 5.027 90; 90; 90 | 311.199 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 673 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007369 | CIF | Al0.09 Ca1.87 K0.02 Mg0.96 Na0.1 O7 Si1.98 Sr0.02 | P -4 21 m | 7.879; 7.879; 5.032 90; 90; 90 | 312.38 | Bindi, L.; Bonazzi, P. Incommensurate-normal phase transition in natural melilite: an in situ high-temperature X-ray single-crystal study Sample: San Venanzo, Italy; T = 773 K Note: xO1 and yO1 corrected by authors Physics and Chemistry of Minerals, 2005, 32, 89-96 |
| 9007370 | CIF | Al0.22 Ca2.899 Fe1.308 H0.119 Mg0.156 Mn0.02 Na0.023 Nb0.003 O12 Si2.302 Ti0.959 Zr0.08 | I a -3 d | 12.1464; 12.1464; 12.1464 90; 90; 90 | 1792.02 | Chakhmouradian, A. R.; McCammon, C. A. Schorlomite: a discussion of the crystal chemistry, formula, and inter-species boundaries Garnet Sample: Afrikanda, Kola Peninsula, Russia Physics and Chemistry of Minerals, 2005, 32, 277-289 |
| 9007371 | CIF | Al0.157 Ca2.915 Fe1.341 Mg0.158 Mn0.034 Na0.02 Nb0.002 O12 Si2.263 Ti1.054 Zr0.056 | I a -3 d | 12.1524; 12.1524; 12.1524 90; 90; 90 | 1794.68 | Chakhmouradian, A. R.; McCammon, C. A. Schorlomite: a discussion of the crystal chemistry, formula, and inter-species boundaries Garnet Sample: Magnet Cove alkaline complex, Hot Springs County, Arkansas Physics and Chemistry of Minerals, 2005, 32, 277-289 |
| 9007372 | CIF | O5 Si2 Sr | C m c e | 5.2389; 9.2803; 13.4406 90; 90; 90 | 653.463 | Kojitani, H.; Kido, M.; Akaogi, M. Rietveld analysis of a new high-pressure strontium silicate SrSi2O5 BaGe2O5 III-type structure Physics and Chemistry of Minerals, 2005, 32, 290-294 |
| 9007373 | CIF | S3 Sb2 | P n m a | 11.311; 3.836; 11.229 90; 90; 90 | 487.215 | Caracas, R.; Gonze, X. First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory Physics and Chemistry of Minerals, 2005, 32, 295-300 |
| 9007374 | CIF | Sb2 Se3 | P n m a | 11.794; 3.986; 11.648 90; 90; 90 | 547.583 | Caracas, R.; Gonze, X. First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory Physics and Chemistry of Minerals, 2005, 32, 295-300 |
| 9007375 | CIF | Bi2 S3 | P n m a | 11.305; 3.981; 11.147 90; 90; 90 | 501.673 | Caracas, R.; Gonze, X. First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory Physics and Chemistry of Minerals, 2005, 32, 295-300 |
| 9007376 | CIF | Bi2 Se3 | P n m a | 11.83; 4.09; 11.62 90; 90; 90 | 562.23 | Caracas, R.; Gonze, X. First-principles study of the electronic properties of A2B3 minerals, with A=Bi,Sb and B=S,Se Note: Hypothetical sulphosalt structure derived from density functional theory Physics and Chemistry of Minerals, 2005, 32, 295-300 |
| 9007377 | CIF | Mg2 O4 Si | P b n m | 4.752; 10.192; 5.978 90; 90; 90 | 289.529 | Kirfel, A.; Lippmann, T.; Blaha, P.; Schwarz, K.; Cox, D. F.; Rosso, K. M.; Gibbs, G. V. Electron density distribution and bond critical point properties for forsterite, Mg2 SiO4, determined with synchrotron single crystal X-ray diffraction data Note: Olivine Sample: (HO;0.7) refinement Physics and Chemistry of Minerals, 2005, 32, 301-313 |
| 9007378 | CIF | O2 Si | P 32 2 1 | 4.98; 4.98; 5.46 90; 90; 120 | 117.269 | Rosa, A. L.; El-Barbary A A; Heggie, M. I.; Briddon, P. R. Structural and thermodynamic properties of water related defects in alpha-quartz Note: Hypothetical structure derived using density-functional theory Physics and Chemistry of Minerals, 2005, 32, 323-331 |
| 9007379 | CIF | H4 Mg10 O18 Si3 | P n n 2 | 14.024; 5.109; 8.733 90; 90; 90 | 625.707 | Koch-Muller M; Dera, P.; Fei, Y.; Hellwig, H.; Liu, Z.; Van Orman, J.; Wirth, R. Polymorphic phase transition in Superhydrous Phase B Sample: MKM0105 Note: z(O6) corrected by authors Physics and Chemistry of Minerals, 2005, 32, 349-361 |
| 9007380 | CIF | D3.2 H0.8 Mg8.2 Ni1.8 O18 Si3 | P n n m | 13.991; 5.097; 8.715 90; 90; 90 | 621.485 | Koch-Muller M; Dera, P.; Fei, Y.; Hellwig, H.; Liu, Z.; Van Orman, J.; Wirth, R. Polymorphic phase transition in Superhydrous Phase B Sample: JIM252 Physics and Chemistry of Minerals, 2005, 32, 349-361 |
| 9007381 | CIF | K2 O9 Si3 Ti | P 63/m | 6.7766; 6.7766; 9.9275 90; 90; 120 | 394.816 | Xu, H.; Navrotsky, A.; Balmer, M. L.; Su, Y. Crystal-chemical and energetic systematics of wadeite-type phases A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) Physics and Chemistry of Minerals, 2005, 32, 426-435 |
| 9007382 | CIF | K2 O9 Si3 Zr | P 63/m | 6.936; 6.936; 10.1822 90; 90; 120 | 424.219 | Xu, H.; Navrotsky, A.; Balmer, M. L.; Su, Y. Crystal-chemical and energetic systematics of wadeite-type phases A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) Physics and Chemistry of Minerals, 2005, 32, 426-435 |
| 9007383 | CIF | Cs2 O9 Si3 Zr | P 63/m | 7.2319; 7.2319; 10.2688 90; 90; 120 | 465.109 | Xu, H.; Navrotsky, A.; Balmer, M. L.; Su, Y. Crystal-chemical and energetic systematics of wadeite-type phases A2BSi3O9 (A = K, Cs; B = Si, Ti, Zr) Physics and Chemistry of Minerals, 2005, 32, 426-435 |
| 9007384 | CIF | Mn O3 Ti | R -3 :H | 5.1386; 5.1386; 14.2857 90; 90; 120 | 326.679 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007385 | CIF | Mn0.5 Ni0.5 O3 Ti | R -3 :H | 5.0855; 5.0855; 14.0191 90; 90; 120 | 313.992 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007386 | CIF | Mg0.25 Mn0.25 Ni0.25 O3 Ti Zn0.25 | R -3 :H | 5.077; 5.077; 13.9727 90; 90; 120 | 311.907 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007387 | CIF | Mg0.333 Ni0.333 O3 Ti Zn0.333 | R -3 :H | 5.0544; 5.0544; 13.8737 90; 90; 120 | 306.946 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007388 | CIF | Mg0.5 Ni0.5 O3 Ti | R -3 :H | 5.0418; 5.0418; 13.8494 90; 90; 120 | 304.883 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007389 | CIF | Ni O3 Ti | R -3 :H | 5.0321; 5.0321; 13.7924 90; 90; 120 | 302.461 | Liferovich, R. P.; Mitchell, R. H. Rhombohedral ilmenite group nickel titanates with Zn, Mg, and Mn: synthesis and crystal structures Physics and Chemistry of Minerals, 2005, 32, 442-449 |
| 9007390 | CIF | Ge O5 Sr Ti | P 1 21/a 1 | 7.2252; 9.0754; 6.7851 90; 113.51; 90 | 407.978 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr100 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007391 | CIF | Ca0.076 Ge O5 Sr0.923 Ti | P 1 21/a 1 | 7.2125; 9.0557; 6.7692 90; 113.52; 90 | 405.394 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr90 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007392 | CIF | Ca0.3 Ge O5 Sr0.699 Ti | P 1 21/a 1 | 7.1916; 9.0134; 6.7387 90; 113.593; 90 | 400.296 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr70 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007393 | CIF | Ca0.389 Ge O5 Sr0.61 Ti | P 1 21/a 1 | 7.1929; 8.9996; 6.7295 90; 113.647; 90 | 399.045 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr60 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007394 | CIF | Ca0.507 Ge O5 Sr0.492 Ti | P 1 21/a 1 | 7.1779; 8.9752; 6.7105 90; 113.658; 90 | 395.978 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr50 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007395 | CIF | Ca0.593 Ge O5 Sr0.406 Ti | P 1 21/a 1 | 7.1757; 8.9564; 6.6988 90; 113.708; 90 | 394.188 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr40 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007396 | CIF | Ca0.713 Ge O5 Sr0.286 Ti | P 1 21/a 1 | 7.1677; 8.9408; 6.6869 90; 113.724; 90 | 392.317 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr30 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007397 | CIF | Ca0.903 Ge O5 Sr0.096 Ti | P 1 21/a 1 | 7.158; 8.9075; 6.663 90; 113.766; 90 | 388.806 | Ellemann-Olesen R; Malcherek, T. The structure of SrTiOGeO4 and its solid solution with CaTiOGeO4 Note: titanite-type structure Sample: Sr10 Physics and Chemistry of Minerals, 2005, 32, 531-545 |
| 9007398 | CIF | Bi2 S3 | P n m a | 11.269; 3.9717; 11.129 90; 90; 90 | 498.102 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Sample: P = .0001 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007399 | CIF | Bi2 S3 | P n m a | 11.136; 3.9574; 11.035 90; 90; 90 | 486.308 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = .97 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007400 | CIF | Bi2 S3 | P n m a | 10.987; 3.9353; 10.903 90; 90; 90 | 471.415 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 2.43 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007401 | CIF | Bi2 S3 | P n m a | 10.907; 3.9191; 10.822 90; 90; 90 | 462.593 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 3.53 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007402 | CIF | Bi2 S3 | P n m a | 10.758; 3.8833; 10.65 90; 90; 90 | 444.92 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 5.92 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007403 | CIF | Bi2 S3 | P n m a | 10.701; 3.8655; 10.565 90; 90; 90 | 437.018 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 7.22 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007404 | CIF | Bi2 S3 | P n m a | 10.659; 3.8525; 10.51 90; 90; 90 | 431.581 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 8.30 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007405 | CIF | Bi2 S3 | P n m a | 10.634; 3.8423; 10.463 90; 90; 90 | 427.508 | Lundegaard, L. F.; Makovicky, E.; Boffa Ballaran, T.; Balic-Zunic T Crystal structure and cation lone electron pair activity of Bi2S3 between 0 and 10 GPa Locality: synthetic Sample: P = 9.18 GPa Physics and Chemistry of Minerals, 2005, 32, 578-584 |
| 9007406 | CIF | Co Mg O4 Si | P b n m | 4.77572; 10.27159; 6.00235 90; 90; 90 | 294.441 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 20 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007407 | CIF | Co Mg O4 Si | P b n m | 4.78873; 10.30879; 6.02484 90; 90; 90 | 297.422 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 300 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007408 | CIF | Co Mg O4 Si | P b n m | 4.80159; 10.34656; 6.04592 90; 90; 90 | 300.361 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 600 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007409 | CIF | Co Mg O4 Si | P b n m | 4.81065; 10.37135; 6.06168 90; 90; 90 | 302.435 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 800 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007410 | CIF | Co Mg O4 Si | P b n m | 4.82045; 10.39863; 6.07821 90; 90; 90 | 304.677 | Rinaldi, R.; Gatta, G. D.; Artioli, G.; Knight, K. S.; Geiger, C. A. Crystal chemistry, cation ordering and thermoelastic behavior of CoMgSiO4 olivine at high temperature as studied by in situ neutron powder diffraction Sample: T = 1000 C Physics and Chemistry of Minerals, 2005, 32, 655-664 |
| 9007495 | CIF | Mn Nb O6 Ta | P b c n | 14.418; 5.76; 5.099 90; 90; 90 | 423.46 | Klein, S.; Weitzel, H. Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure Acta Crystallographica, Section A, 1976, 32, 587-591 |
| 9007611 | CIF | Ca3 H6 O10 Si2 | C 1 c 1 | 16.278; 5.6321; 13.236 90; 134.898; 90 | 859.577 | Malik, K. M. A.; Jeffery, J. W. A re-investigation of the structure of afwillite Acta Crystallographica, Section B, 1976, 32, 475-480 |
| 9007612 | CIF | B3 H15 Mg O13 | P 1 21/c 1 | 6.8221; 13.1145; 12.035 90; 104.552; 90 | 1042.21 | Corazza, E. Inderite: Crystal structure refinement and relationship to kurnakovite Acta Crystallographica, Section B, 1976, 32, 1329-1333 |
| 9007613 | CIF | As H9 Mg O8 | P b c a | 7.472; 10.891; 16.585 90; 90; 90 | 1349.65 | Protas, J.; Gindt, R. Structure cristalline de la brassite, MgHAsO4*4H2O, produit de deshydratation de la roesslerite Locality: synthetic Acta Crystallographica, Section B, 1976, 32, 1460-1466 |
| 9007614 | CIF | As3 Ca2 Mg1.7 Mn0.3 Na O12 | I a -3 d | 12.355; 12.355; 12.355 90; 90; 90 | 1885.94 | Hawthorne, F. C. Refinement of the crystal structure of berzeliite Note: garnet structure Acta Crystallographica, Section B, 1976, 32, 1581-1583 |
| 9007615 | CIF | Bi5 Cu Pb S9 | P b n m | 33.531; 11.486; 4.003 90; 90; 90 | 1541.7 | Kohatsu, I.; Wuensch, B. J. The crystal structure of gladite, PbCuBi5S9, a superstructure intermediate in the series Bi2S3-PbCuBiS3 (bismuthinite-aikinite) Acta Crystallographica, Section B, 1976, 32, 2401-2409 |
| 9007616 | CIF | Ca0.017 Fe0.614 Li0.301 Mg0.036 Mn0.333 Na0.014 O4 P0.965 | P m n b | 5.918; 10.037; 4.798 90; 90; 90 | 284.996 | Alberti, A. Crystal structure of ferrisicklerite, Li<1(Fe3+,Mn2+)PO4 Acta Crystallographica, Section B, 1976, 32, 2761-2764 |
| 9009617 | CIF | H7 Mg O7 P | P b c a | 10.203; 10.678; 10.015 90; 90; 90 | 1091.11 | Bartl, H.; Catti, M.; Joswig, W.; Ferraris, G. Investigation of the crystal structure of newberyite, MgHPO4*3H2O, by single crystal neutron diffraction Tschermaks Mineralogische und Petrographische Mitteilungen, 1983, 32, 187-194 |
| 9010848 | CIF | O2 Ti0.425 Zr0.575 | P b c n | 4.8495; 5.4635; 5.0462 90; 90; 90 | 133.7 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.425 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
| 9010849 | CIF | O2 Ti0.45 Zr0.55 | P b c n | 4.8349; 5.4801; 5.0439 90; 90; 90 | 133.642 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.450 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
| 9010850 | CIF | O2 Ti0.5 Zr0.5 | P b c n | 4.8069; 5.4785; 5.0339 90; 90; 90 | 132.566 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.500 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
| 9010851 | CIF | O2 Ti0.548 Zr0.452 | P b c n | 4.7762; 5.501; 5.0253 90; 90; 90 | 132.034 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.548 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
| 9010852 | CIF | O2 Ti0.6 Zr0.4 | P b c n | 4.7447; 5.4925; 5.0119 90; 90; 90 | 130.611 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.600 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
| 9010853 | CIF | O2 Ti0.65 Zr0.35 | P b c n | 4.72; 5.5078; 5.0018 90; 90; 90 | 130.031 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.650 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
| 9010854 | CIF | O2 Ti0.666 Zr0.334 | P b c n | 4.7112; 5.4944; 4.9962 90; 90; 90 | 129.328 | Troitzsch, U.; Christy, A. G.; Ellis, D. J. The crystal structure of disordered (Zr,Ti)O2 solid solution Sample: XTi = 0.666 Physics and Chemistry of Minerals, 2005, 32, 504-514 |
| 9010855 | CIF | Ca Fe O6 Si2 | C 1 2/c 1 | 9.8672; 9.0469; 5.2584 90; 104.794; 90 | 453.844 | Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K. Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd10hk1a Physics and Chemistry of Minerals, 2005, 32, 552-563 |
| 9010856 | CIF | Ca Fe0.789 O6 Si2 Zn0.211 | C 1 2/c 1 | 9.8605; 9.0304; 5.269 90; 105.138; 90 | 452.894 | Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K. Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd8b41a Physics and Chemistry of Minerals, 2005, 32, 552-563 |
| 9010857 | CIF | Ca Fe0.835 O6 Si2 Zn0.165 | C 1 2/c 1 | 9.8502; 9.0294; 5.2584 90; 105.052; 90 | 451.643 | Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K. Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd7gb21 Physics and Chemistry of Minerals, 2005, 32, 552-563 |
| 9010858 | CIF | Ca Fe0.504 O6 Si2 Zn0.496 | C 1 2/c 1 | 9.8447; 9.0175; 5.2614 90; 105.342; 90 | 450.434 | Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K. Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd4gb31 Physics and Chemistry of Minerals, 2005, 32, 552-563 |
| 9010859 | CIF | Ca Fe0.413 O6 Si2 Zn0.587 | C 1 2/c 1 | 9.8369; 9.0043; 5.2605 90; 105.435; 90 | 449.14 | Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K. Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: hd3gb31 Physics and Chemistry of Minerals, 2005, 32, 552-563 |
| 9010860 | CIF | Ca O6 Si2 Zn | C 1 2/c 1 | 9.8243; 8.9939; 5.2608 90; 105.794; 90 | 447.289 | Heuer, M.; Huber, A. L.; Bromiley, G. D.; Fehr, K. T.; Bente, K. Characterization of synthetic hedenbergite (CaFeSi2O6)-petedunnite (CaZnSi2O6) solid solution series by X-ray single crystal diffraction Sample: pd9_1b Physics and Chemistry of Minerals, 2005, 32, 552-563 |
| 9011159 | CIF | F3 La | P -3 c 1 | 7.185; 7.185; 7.351 90; 90; 120 | 328.648 | Cheetham, A. K.; Fender, B. E. F.; Fuess, H.; Wright, A. F. A powder neutron diffraction study of lanthanum and cerium trifluorides Chem 5 (1966) 1466-1468 Acta Crystallographica, Section B, 1976, 32, 94-97 |
| 9011160 | CIF | Ce F3 | P -3 c 1 | 7.131; 7.131; 7.286 90; 90; 120 | 320.864 | Cheetham, A. K.; Fender, B. E. F.; Fuess, H.; Wright, A. F. A powder neutron diffraction study of lanthanum and cerium trifluorides Acta Crystallographica, Section B, 1976, 32, 94-97 |
| 9011161 | CIF | Ca9 H Mn O28 P7 | R 3 c :H | 10.438; 10.438; 37.15 90; 90; 120 | 3505.29 | Kostiner, E.; Rea, J. R. The crystal structure of manganese-whitlockite, Ca18Mn2H2(PO4)14 Acta Crystallographica, Section B, 1976, 32, 250-253 |
| 9011162 | CIF | B7 Ba3 H4 Na O20 Si2 | C 1 2/c 1 | 14.639; 8.466; 13.438 90; 114.21; 90 | 1518.95 | Ghose, S.; Wan, C.; Ulbrich, H. H. Structural chemistry of borosilicates. I. Garrelsite, NaBa3Si2B7O16(OH)4, a silicoborate with the pentaborate [B5O12]9- polyanion Acta Crystallographica, Section B, 1976, 32, 824-832 |
| 9011163 | CIF | Cu H12 N6 O6 | P n n m | 10.84; 23.693; 6.902 90; 90; 90 | 1772.66 | Morosin, B. The crystal structure of copper(II) tetraammine nitrate Acta Crystallographica, Section B, 1976, 32, 1237-1240 |
| 9011164 | CIF | Fe6.34 Mn O38 Pb0.83 Ti13.66 | R -3 :R | 9.172; 9.172; 9.172 69.02; 69.02; 69.02 | 648.885 | Grey, I. E.; Lloyd, D. J. The crystal structure of senaite Acta Crystallographica, Section B, 1976, 32, 1509-1513 |
| 9011165 | CIF | O15 S2 Sb6 | C c c 2 | 12.073; 19.023; 5.876 90; 90; 90 | 1349.51 | Bovin, J. O. The crystal structure of the antimony(III) oxide sulphate Sb6O7(SO4)2 Acta Crystallographica, Section B, 1976, 32, 1771-1777 |
| 9011166 | CIF | H K O4 S | P b c a | 8.429; 9.807; 18.976 90; 90; 90 | 1568.62 | Payan, F.; Haser, R. On the hydrogen bonding in potassium hydrogen sulphate. Comparison with a previous crystal structure determination Acta Crystallographica, Section B, 1976, 32, 1875-1879 |
| 9011167 | CIF | O12 S3 Sb2 | P 1 21/c 1 | 13.12; 4.75; 17.55 90; 126.3; 90 | 881.457 | Mercier, R.; Douglade, J.; Bernard, J. Structure cristalline de Sb2O3*3SO3 Acta Crystallographica, Section B, 1976, 32, 2787-2791 |
| 9011168 | CIF | H28 Mg3 N2 O24 P4 | P -1 | 10.728; 7.67; 6.702 97.87; 96.97; 104.74 | 521.225 | Catti, M.; Franchini-Angela M Hydrogen bonding in the crystalline state. Structure of Mg3(NH4)2(HPO4)4*8H2O (hannayite), and crystal-chemical relationships with schertelite and struvite Acta Crystallographica, Section B, 1976, 32, 2842-2848 |
| 9011786 | CIF | Al0.25 O2 Si0.75 | P 63/m m c | 13.26; 13.26; 15.12 90; 90; 120 | 2302.34 | Staples, L. W.; Gard, J. A. The fibrous zeolite erionite; its occurrence, unit cell, and structure Note: K atom was not located Mineralogical Magazine, 1959, 32, 261-281 |
| 9011960 | CIF | Bi11.4 Cu0.6 Fe0.4 Pb9 S28 Sb0.6 | P n m a | 54.76; 4.03; 22.75 90; 90; 90 | 5020.53 | Kupcik, V. Die kristallstruktur des minerals eclarit, (Cu,Fe)Pb9Bi12S28 Tschermaks Mineralogische und Petrographische Mitteilungen, 1984, 32, 259-269 |
| 9012043 | CIF | Cu | F m -3 m | 3.615; 3.615; 3.615 90; 90; 90 | 47.242 | Otte, H. M. Lattice parameter determinations with an X-ray spectrogoniometer by the Debye-Scherrer method and the effect of specimen condition Journal of Applied Physics, 1961, 32, 1536-1546 |
| 9012068 | CIF | Ca2 F O6 Ta2 | F d -3 m :2 | 10.421; 10.421; 10.421 90; 90; 90 | 1131.69 | Siegrist, T.; Cava, R. J.; Krajewski, J. J. Reduced alkaline earth tantalates Note: isostructural with fluornatromicrolite Materials Research Bulletin, 1997, 32, 881-887 |
| 9012069 | CIF | O15 Sr2.83 Ta5 | P 4/m b m | 12.282; 12.282; 3.864 90; 90; 90 | 582.875 | Siegrist, T.; Cava, R. J.; Krajewski, J. J. Reduced alkaline earth tantalates Materials Research Bulletin, 1997, 32, 881-887 |
| 9012070 | CIF | Ba2 O32 Ta15 | R -3 :H | 7.773; 7.773; 35.414 90; 90; 120 | 1853.03 | Siegrist, T.; Cava, R. J.; Krajewski, J. J. Reduced alkaline earth tantalates Materials Research Bulletin, 1997, 32, 881-887 |
| 9012522 | CIF | As Be2 H9 O9 | P 1 21/a 1 | 7.2349; 12.686; 8.6548 90; 98.439; 90 | 785.754 | Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D. Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O Inorganic Chemistry, 1993, 32, 2437-2441 |
| 9012523 | CIF | H15 Na2 O12 P Zn | P 1 21/a 1 | 6.4212; 21.612; 8.6813 90; 109.899; 90 | 1132.82 | Harrison, W. T. A.; Nenoff, T. M.; Gier, T. E.; Stucky, G. D. Tetrahedral-atom 3-ring groupings in 1-dimensional inorganic chains: Be2AsO4OH*4H2O and Na2ZnPO4OH*7H2O Inorganic Chemistry, 1993, 32, 2437-2441 |
| 9012564 | CIF | C Ti | F m -3 m | 4.328; 4.328; 4.328 90; 90; 90 | 81.07 | Christensen, A. N. The temperature factor parameters of some transition metal carbides and nitrides by single crystal X-ray and neutron diffraction Acta Chemica Scandinavica A, 1978, 32, 89-90 |
| 9013497 | CIF | Fe0.434 S Zn0.566 | P 63 m c | 3.8353; 3.8353; 6.3008 90; 90; 120 | 80.265 | Kullerud, G. The Fe S - Zn S system. A geological thermometer Norsk Geologisk Tidsskrift, 1953, 32, 61-147 |
| 9013498 | CIF | Fe0.442 S Zn0.558 | P 63 m c | 3.8357; 3.8357; 6.3002 90; 90; 120 | 80.274 | Kullerud, G. The Fe S - Zn S system. A geological thermometer Norsk Geologisk Tidsskrift, 1953, 32, 61-147 |
| 9014297 | CIF | Mg2 O4 Si | P n m a | 10.20141; 5.98348; 4.75534 90; 90; 90 | 290.266 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9014320 | CIF | Mn2 O4 Si | P n m a | 10.60016; 6.25753; 4.90338 90; 90; 90 | 325.245 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015074 | CIF | Mg Mn O4 Si | P n m a | 10.451; 6.12446; 4.80757 90; 90; 90 | 307.717 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015108 | CIF | Cl H12 | F m -3 m | 5.482; 5.482; 5.482 90; 90; 90 | 164.747 | Niimura, N.; Shimaoka, K.; Motegi, H.; Hoshino, S. Crystal structure and phase transition of hydrogen chloride Note: this phase is stable above 120 K Note: T = 135 K Journal of the Physical Society of Japan, 1972, 32, 1019-1026 |
| 9015192 | CIF | Mg Mn O4 Si | P n m a | 10.451; 6.12446; 4.80757 90; 90; 90 | 307.717 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015520 | CIF | Ca17 N34 O122.96 | P 63/m | 13.226; 13.226; 32.37 90; 90; 120 | 4903.77 | Leclaire, A. Structure cristalline d'un nouvel hydrate du nitrate de calcium Ca(NO3)2(H2O)1.235 Acta Crystallographica, Section B, 1976, 32, 1950-1953 |
| 9015596 | CIF | Cl F Na6 O8 S2 | F m -3 m | 10.071; 10.071; 10.071 90; 90; 90 | 1021.45 | Sakamoto, Y. The size, atomic charges, and motion of the sulfate radical of symmetry -43m in the crystal of sulfohalite, Na6ClF(SO4)2 Journal of Science of the Hiroshima University, Series A-II: Physics and Chemistry, 1968, 32, 101-108 |
| 9015658 | CIF | Mg2 O4 Si | P n m a | 10.20141; 5.98348; 4.75534 90; 90; 90 | 290.266 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015849 | CIF | Mn2 O4 Si | P n m a | 10.60016; 6.25753; 4.90338 90; 90; 90 | 325.245 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9015963 | CIF | Al1.88 Ba Fe1.3 H3 Mg0.62 Mn0.08 O15 P3 | P 1 21/m 1 | 9.014; 12.074; 4.926 90; 100.48; 90 | 527.178 | Cooper, M. A.; Hawthorne, F. C. Refinement of the crystal structure of kulanite Note: occupancies of M1 and M2 have been switched, as noted by authors, 2006 The Canadian Mineralogist, 1994, 32, 15-19 |
| 9016116 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = eo Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9016168 | CIF | N2 O13 P4 Si | P -1 | 15.14; 7.684; 4.861 97.86; 96.74; 83.89 | 553.971 | Durif, A.; Averbuch-Pouchot, M. T.; Guitel, J. C. Structure cristalline de (N H4)2 Si P4 O13: un nouvel exemple de silicium hexacoordine Acta Crystallographica, Section B, 1976, 32, 2957-2960 |
| 9016435 | CIF | Mg0.6 Mn1.4 O4 Si | P n m a | 10.52411; 6.17903; 4.83927 90; 90; 90 | 314.692 | Yamazaki, S.; Toraya, H. Rietveld refinement of site-occupancy parameters of Mg2-xMnxSiO4 using a new weight function in least-squares fitting Note: e = 1 Journal of Applied Crystallography, 1999, 32, 51-59 |
| 9016581 | CIF | As Fe H4 O6 | P c a b | 8.937; 10.278; 9.996 90; 90; 90 | 918.177 | Hawthorne, F. C. The hydrogen positions in scorodite Acta Crystallographica, Section B, 1976, 32, 2891-2892 |
| 9017152 | CIF | Al1.97 Ca Fe0.03 H6 O30 Pb3 Si10 | P 3 1 c | 8.56; 8.56; 20.19 90; 90; 120 | 1281.19 | Lam, A. E.; Groat, L. A. The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement The Canadian Mineralogist, 1994, 32, 525-532 |
| 9017153 | CIF | Al1.81 Ca Fe0.19 H6 O30 Pb3 Si10 | P 3 1 c | 8.546; 8.546; 20.168 90; 90; 120 | 1275.61 | Lam, A. E.; Groat, L. A. The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement The Canadian Mineralogist, 1994, 32, 525-532 |
| 9017298 | CIF | O2 Si | C 1 c 1 | 18.494; 4.991; 25.832 90; 117.75; 90 | 2110.15 | Kato, V. K.; Nukui, A. Die kristallstruktur des monoklinen tief-tridymits Acta Crystallographica, Section B, 1976, 32, 2486-2491 |
| 9017798 | CIF | Al K O8 Si3 | C 1 2/m 1 | 8.48; 12.97; 7.18 90; 115.98; 90 | 709.895 | Onorato, E.; Penta, M.; Sgarlata, F. Struttura del Sanidino Note: Occupancies not provided, estimated using Kroll & Ribbe, 1983 Periodico di Mineralogia, 1963, 32, 1-34 |
| 9017907 | CIF | C19 O8 | P 21 21 21 | 9.837; 10.517; 18.7594 90; 90; 90 | 1940.77 | Lisgarte, J. N.; Potter, B.; Palmer, R. A.; Chimanuka, B.; Aymami, J. Structure, absolute configuration, and conformation of the antimalarial drug artesunate Journal of Chemical Crystallography, 2002, 32, 43-48 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!