Crystallography Open Database
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Searching space group like 'P 1 21/a 1'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7702617 | CIF | C13 H18 Cl2 Co N3 O | P 1 21/a 1 | 15.6132; 13.2356; 15.866 90; 95.909; 90 | 3261.3 | Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide† Journal of the Chemical Society, Dalton Transactions, 2001, 2943 |
| 7702619 | CIF | C13 H18 Cl2 N3 O Zn | P 1 21/a 1 | 15.6669; 13.2652; 15.8854 90; 95.677; 90 | 3285.2 | Yamamoto, Youhei; Suzuki, Takayoshi; Kaizaki, Sumio Syntheses, structures, magnetic, and spectroscopic properties of cobalt(ii), nickel(ii) and zinc(ii) complexes containing 2-(6-methyl)pyridyl-substituted nitronyl and imino nitroxide† Journal of the Chemical Society, Dalton Transactions, 2001, 2943 |
| 7702632 | CIF | C22 H29 N6 O3 | P 1 21/a 1 | 12.458; 14.997; 12.515 90; 93.54; 90 | 2334 | Boubals, Nathalie; Drew, Michael G. B.; Hill, Clément; Hudson, Michael J.; Iveson, Peter B.; Madic, Charles; Russell, Mark L.; Youngs, Tristan G. A. Americium(iii) and europium(iii) solvent extraction studies of amide-substituted triazine ligands and complexes formed with ytterbium(iii) Journal of the Chemical Society, Dalton Transactions, 2002, 55 |
| 7702656 | CIF | C47 H47 F6 O2 P2 Rh | P 1 21/a 1 | 15.74; 17.42; 16.32 90; 102.66; 90 | 4366 | Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand Journal of the Chemical Society, Dalton Transactions, 2002, 195 |
| 7702657 | CIF | C49 H47 F6 O6 P2 Rh | P 1 21/a 1 | 15.534; 19.986; 15.757 90; 103.7; 90 | 4752.8 | Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand Journal of the Chemical Society, Dalton Transactions, 2002, 195 |
| 7702659 | CIF | C34 H35 F6 O5 P2 Rh | P 1 21/a 1 | 15.411; 22.199; 10.602 90; 110.11; 90 | 3405.9 | Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand Journal of the Chemical Society, Dalton Transactions, 2002, 195 |
| 7702660 | CIF | C39 H46 F6 N O9 P2 Rh | P 1 21/a 1 | 15.299; 14.826; 19.505 90; 106.78; 90 | 4236 | Yamamoto, Yasuhiro; Sugawara, Kenichiro; Han, Xiao-Hong Novel single or double insertion of alkynes into rhodium‒ and iridium‒oxygen or ‒phosphorus atom bonds and transannular addition of 1-alkynes between the rhodium atom and the ipso-carbon atom of the phosphorus ligand Journal of the Chemical Society, Dalton Transactions, 2002, 195 |
| 7702718 | CIF | C18 H58 Cl6 N6 O26 Rh2 S6 | P 1 21/a 1 | 19.181; 14.374; 20.233 90; 116.93; 90 | 4973 | Hirotsu, Masakazu; Kobayashi, Atsushi; Yoshimura, Takashi; Konno, Takumi Rhodium(iii) complexes with thiolate and thioether ligands derived from fac(S)-[Rh(aet)3] (aet = 2-aminoethanethiolate): selective formation, characterization and properties Journal of the Chemical Society, Dalton Transactions, 2002, 878 |
| 7702806 | CIF | C73 H70 Cl2 F8 Ir2 N2 O2 P4 S2 | P 1 21/a 1 | 14.066; 31.694; 16.355 90; 91.83; 90 | 7287 | Matsukawa, Shoji; Kuwata, Shigeki; Ishii, Youichi; Hidai, Masanobu Coordination behaviour of (diaryl disulfide)-bridged dinuclear thiairidaindan cores: ligand substitution by isocyanides, CO, hydrazines and hydroxylamine, and related reactions Journal of the Chemical Society, Dalton Transactions, 2002, 2737 |
| 7702809 | CIF | C74 H102 Cl2 Cu4 N8 O20 | P 1 21/a 1 | 17.012; 17.596; 26.692 90; 101.711; 90 | 7823.7 | Saimiya, Hiromi; Sunatsuki, Yukinari; Kojima, Masaaki; Kashino, Setsuo; Kambe, Takashi; Hirotsu, Masakazu; Akashi, Haruo; Nakajima, Kiyohiko; Tokii, Tadashi Antiferromagnetism induced by successive protonation of terminal phenol groups of a bis(μ-phenoxide)-bridged dicopper(II,II) complex Journal of the Chemical Society, Dalton Transactions, 2002, 3737-3742 |
| 7702891 | CIF | C21 H19 B2 F8 N7 O Ru | P 1 21/a 1 | 10.0573; 15.8424; 16.3412 90; 105.971; 90 | 2503.2 | Okamura, Masaya; Yoshida, Masaki; Kuga, Reiko; Sakai, Ken; Kondo, Mio; Masaoka, Shigeyuki A mononuclear ruthenium complex showing multiple proton-coupled electron transfer toward multi-electron transfer reactions. Dalton transactions (Cambridge, England : 2003), 2012, 41, 13081-13089 |
| 7703409 | CIF | C23 H24 I Ir N2 S3 | P 1 21/a 1 | 24.1194; 9.1793; 23.3012 90; 113.303; 90 | 4738.04 | Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A. Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2264-2272 |
| 7703411 | CIF | C23 H24 I Ir N2 S3 | P 1 21/a 1 | 24.1194; 9.1793; 23.3012 90; 113.303; 90 | 4738.04 | Wang, Weiran; Lynch, Vincent M.; Guo, Hongyu; Datta, Anwesha; Jones, Richard A. Electropolymerizable N-heterocyclic carbene complexes of Rh and Ir with enantiotropic polymorphic phases. Dalton transactions (Cambridge, England : 2003), 2020, 49, 2264-2272 |
| 7704617 | CIF | C24 H50.74 Br0.44 Cl1.56 Cu2 N12 O2.37 | P 1 21/a 1 | 16.781; 9.134; 21.372 90; 95.981; 90 | 3258.02 | Lopera, Alberto; Gil-Martínez, Ariadna; Pitarch-Jarque, Javier; Verdejo, Begoña; Blasco, Salvador; Clares, M. Paz; Jiménez, Hermas R; García-España, Enrique Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu<sup>2+</sup> complexes of [1 + 1] 1H-pyrazole azamacrocycles. Dalton transactions (Cambridge, England : 2003), 2020, 49, 8614-8624 |
| 7705414 | CIF | C24 H16 Cl2 Fe N12 O8 | P 1 21/a 1 | 17.194; 8.726; 19.187 90; 90.4; 90 | 2879 | Senthil Kumar, Kuppusamy; Del Giudice, Nicolas; Heinrich, Benoît; Douce, Laurent; Ruben, Mario Bistable spin-crossover in a new series of [Fe(BPP-R)<sub>2</sub>]<sup>2+</sup> (BPP = 2,6-bis(pyrazol-1-yl)pyridine; R = CN) complexes. Dalton transactions (Cambridge, England : 2003), 2020, 49, 14258-14267 |
| 7705590 | CIF | C18 H14 Cl N3 | P 1 21/a 1 | 7.8431; 23.827; 8.7706 90; 114.206; 90 | 1494.9 | Longevial, Jean-François; Miyagawa, Kazuya; Shinokubo, Hiroshi Site-selective halogenation on <i>meso</i>-mesityl substituents of 10,20-dimesityl-5,15-diazaporphyrins with an AuX<sub>3</sub>/AgOTf combination. Dalton transactions (Cambridge, England : 2003), 2020, 49, 14786-14789 |
| 7705748 | CIF | C51 H47.5 F6 N2 O8.25 P3 Ru | P 1 21/a 1 | 18.644; 31.025; 19.489 90; 110.134; 90 | 10584.1 | Graminha, Angelica E.; Honorato, João; Correa, Rodrigo S.; Cominetti, Marcia R.; Menezes, Antônio C S; Batista, Alzir A. A novel ruthenium(ii) gallic acid complex disrupts the actin cytoskeleton and inhibits migration, invasion and adhesion of triple negative breast tumor cells. Dalton transactions (Cambridge, England : 2003), 2021, 50, 323-335 |
| 7707065 | CIF | C36 Co4 O24 P4 | P 1 21/a 1 | 9.39192; 23.4056; 10.51984 90; 95.5626; 90 | 2301.62 | Bazaga-García, Montse; Vílchez-Cózar, Álvaro; Maranescu, Bianca; Olivera-Pastor, Pascual; Marganovici, Marko; Ilia, Gheorghe; Cabeza Díaz, Aurelio; Visa, Aurelia; Colodrero, Rosario M. P. Synthesis and electrochemical properties of metal(ii)-carboxyethylphenylphosphinates. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6539-6548 |
| 7707130 | CIF | C2 H8 Mg N2 O4 S2 | P 1 21/a 1 | 7.49473; 9.0296; 7.87213 90; 113.65; 90 | 487.997 | Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6949-6961 |
| 7707132 | CIF | C18 H32 Mg N2 O4 S2 | P 1 21/a 1 | 10.5624; 15.0999; 7.8918 90; 96.5777; 90 | 1250.39 | Joos, Markus; Conrad, Maurice; Merkle, Rotraut; Schleid, Thomas; Maier, Joachim; Dinnebier, Robert E.; Bette, Sebastian Synthesis, characterization and thermal behaviour of solid phases in the quasi-ternary system Mg(SCN)<sub>2</sub>-H<sub>2</sub>O-THF. Dalton transactions (Cambridge, England : 2003), 2021, 50, 6949-6961 |
| 7708273 | CIF | C154 H146 B4 Cl8 F16 N8 O2 P8 Pd4 | P 1 21/a 1 | 21.2707; 23.0586; 31.8123 90; 93.226; 90 | 15578.3 | Alves, Kamilla; Honorato, João; Lião, Luciano Morais; Velozo-Sá, Vivianne de Souza; Pereira Mundim Guedes, Adriana; Dutra, Jocely de Lucena; Ayala, Alejandro Pedro; Ellena, Javier A.; Batista, Alzir A.; Gonçalves, Pablo José Meso-tetra-(4-pyridyl)porphyrin/Palladium(II) Complexes as Anticancer Agents Dalton Transactions, 2021 |
| 7708873 | CIF | C40 H48 B2 F2 N4 O4 | P 1 21/a 1 | 12.864; 9.016; 15.507 90; 95.242; 90 | 1791 | Nakamura, Masashi; Gon, Masayuki; Natsuda, Shin-Ichiro; Tamai, Yasunari; Ohkita, Hideo; Tanaka, Kazuo; Chujo, Yoshiki Development of NIR emissive fully-fused bisboron complexes with π-conjugated systems including multiple azo groups. Dalton transactions (Cambridge, England : 2003), 2021, 51, 74-84 |
| 7710547 | CIF | C22 H37 Cl Ir N2 P Si | P 1 21/a 1 | 15.8176; 9.3483; 18.1721 90; 110.406; 90 | 2518.4 | Komuro, Takashi; Mochizuki, Daiki; Hashimoto, Hisako; Tobita, Hiromi Iridium and rhodium complexes bearing a silyl-bipyridine pincer ligand: synthesis, structures and catalytic activity for C–H borylation of arenes Dalton Transactions, 2022 |
| 7711752 | CIF | C35 H32 N2 P2 Pd S | P 1 21/a 1 | 14.2842; 14.4067; 15.4064 90; 102.516; 90 | 3095.1 | Hogarth, Graeme; Al-Jibori, Subhi A.; Al-Janabi, Ahmed; Irzoqi, Ahmed A.; Basak-Modi, Sucharita; Orton, Georgia; Ghosh, Shishir; Wagner, Christoph; Abdullah, Ali I. A. Palladium(II) ortho-cyano-aminothiophenolate (ocap) complexes Dalton Transactions, 2022 |
| 7715483 | CIF | C35 H60 B10 Ca N2 O | P 1 21/a 1 | 17.214; 13.088; 18.465 90; 103.181; 90 | 4050.51 | Pearce, Kyle G.; Morris, Louis J.; Robinson, Thomas P.; Johnson, Andrew L.; Mahon, Mary F.; Hill, Michael S. From alkaline earth to coinage metal carboranyls. Dalton transactions (Cambridge, England : 2003), 2024, 53, 6653-6659 |
| 7716980 | CIF | C15 H8 F6 Gd N O8 | P 1 21/a 1 | 7.7894; 21.8151; 10.1789 90; 98.8; 90 | 1709.3 | Trovarelli, Letizia; Mirarchi, Alessandra; Arcuri, Cataldo; Bruscoli, Stefano; Bereshchenko, Oxana; Febo, Marta; Carniato, Fabio; Costantino, Ferdinando Relaxometric properties and biocompatibility of a novel nanostructured fluorinated gadolinium metal-organic framework. Dalton transactions (Cambridge, England : 2003), 2024, 53, 15937-15945 |
| 7717566 | CIF | C12 H14 N4 O4 Pd | P 1 21/a 1 | 4.5772; 18.3853; 8.1572 90; 95.268; 90 | 683.55 | Pantelis, Konstantinos; Raptopoulou, Catherine; Psycharis, Vassilis; Tang, Jinkui; Stamatatos, Theocharis C. Square planar Pd(II)/oximate complexes as ‘metalloligands’ for the directional assembly of 4f-metal ions: A new family of {Ln2Pd} (Ln = lanthanide) clusters exhibiting slow magnetization relaxation Dalton Transactions, 2024 |
| 8000051 | CIF | C2 H2 Ca O4 | P 1 21/a 1 | 10.09; 14.549; 6.27 90; 109.53; 90 | 867.5 | Makoto Tadokoro; Yoshiki Ozawa; Minoru Mitsumi; Kohshiro Toriumi; Tetsuya Ogura Raphide Crystal Structure in Agave Tequilana Determined by X-ray Originating from Synchrotron Radiation Chemistry Letters, 2005, 34, 236 |
| 8000059 | CIF | C16 H13 Cl Ge O2 | P 1 21/a 1 | 14.867; 10.589; 9.096 90; 91.013; 90 | 1431.73 | Makoto Yamashita; Hiromi Murakami; Toshifumi Unrin-in; Atsushi Kawachi; Kin-ya Akiba; Yohsuke Yamamoto Synthesis and Structure of a Germylene Bearing a 1,8-Dimethoxyanthracene Ligand Chemistry Letters, 2005, 34, 690 |
| 8000109 | CIF | C18 H28 N2 | P 1 21/a 1 | 11.014; 6.651; 12.73 90; 97.37; 90 | 924.8 | Ohashi, Maki; Maeda, Hajime; Mizuno, Kazuhiko Catalytic Ability of 9-Cyanophenanthrene in Oxidative Photodimerization of 2,5-Dimethyl-2,4-hexadiene Chemistry Letters, 2006, 35, 482 |
| 8100127 | CIF | C8 H14 N O4 P | P 1 21/a 1 | 7.909; 8.366; 16.552 90; 98.23; 90 | 1083.9 | Smirani, Wajda; Rzaigui, Mohamed Crystal structure of 3,4-dimethylanilinium dihydrogenphosphate, [(CH~3~)~2~C~6~H~3~NH~3~]H~2~PO~4~ Zeitschrift für Kristallographie - New Crystal Structures, 2004, 219, 263-264 |
| 8100259 | CIF | C91 H89 Cl28 O12 P6 Ru2 | P 1 21/a 1 | 21.984; 25.643; 23.102 90; 114.54; 90 | 11847 | Tinant, B.; Duliere, E.; Devillers, M.; Marchand-Brynaert, J. Crystal structure of dichloro-[1-diphenylphosphinyloxy-2,2-bis(diphenyl- phosphinyloxymethyl)propane]ruthenium(II) solvate, C~82~H~78~Cl~4~O~6~P~6~Ru~2~ · 8CHCl~3~ · CH~3~OH · 5H~2~O, a novel tridentate phosphinite-Ru complex used as a model of heterogenized oxidation catalyst Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 59-62 |
| 8100265 | CIF | C28 H32 N2 O5 | P 1 21/a 1 | 9.5162; 16.0013; 17.8001 90; 102.883; 90 | 2642.2 | Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura Crystal structure of 2-[(3,4-dimethoxy)-phenethyl-3-(3,4-dimethoxy)- phenethylamino]-2,3-dihydro-isoindol-1-one, C~28~H~32~N~2~O~5~ Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 79-80 |
| 8100352 | CIF | C16 H15 N O | P 1 21/a 1 | 7.0845; 18.587; 9.08 90; 95.3; 90 | 1190.6 | Sobarzo-Sánchez, Eduardo; Cassels, Bruce K.; Castedo, Luis; Valencia-Matarranz, Laura; Pérez-Lourido, Paulo Crystal structure of 2,3,8,9,10,11-hexahydro-7H-dibenzo[de,h]quinolin- 7-one, C~16~H~15~NO Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 177-178 |
| 8100409 | CIF | H12 O14 Rb2 Se2 Zn | P 1 21/a 1 | 9.3523; 12.6259; 6.36 90; 105.195; 90 | 724.74 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~)~2~, M^II^ = Mg, Co, Mn, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 265-268 |
| 8100421 | CIF | H12 Mg O14 Rb2 Se2 | P 1 21/a 1 | 9.401; 12.658; 6.339 90; 105.25; 90 | 727.77 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~) ~2~, M^II^ = Mg, Co, Mn, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 265-268 |
| 8100422 | CIF | Co H12 O14 Rb2 Se2 | P 1 21/a 1 | 9.3628; 12.6176; 6.3562 90; 105.238; 90 | 724.5 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~)~2~, M^II^ = Mg, Co, Mn, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 265-268 |
| 8100423 | CIF | H12 Mn O14 Rb2 Se2 | P 1 21/a 1 | 9.4496; 12.7603; 6.3794 90; 105.189; 90 | 742.35 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SeO~4~)~2~, M^II^ = Mg, Co, Mn, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 265-268 |
| 8100506 | CIF | Cs2 H12 Mg O14 S2 | P 1 21/a 1 | 9.338; 12.849; 6.361 90; 107.07; 90 | 729.6 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
| 8100507 | CIF | Cs2 H12 Mn O14 S2 | P 1 21/a 1 | 9.418; 12.963; 6.386 90; 107.17; 90 | 744.9 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
| 8100508 | CIF | Cs2 Fe H12 O14 S2 | P 1 21/a 1 | 9.357; 12.886; 6.381 90; 106.94; 90 | 736 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
| 8100509 | CIF | Co Cs2 H12 O14 S2 | P 1 21/a 1 | 9.3182; 12.826; 6.365 90; 107.13; 90 | 727 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
| 8100510 | CIF | Cs2 H12 Ni O14 S2 | P 1 21/a 1 | 9.259; 12.767; 6.358 90; 107; 90 | 718.7 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
| 8100511 | CIF | Cs2 H12 O14 S2 Zn | P 1 21/a 1 | 9.314; 12.817; 6.369 90; 106.94; 90 | 727.3 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SO~2~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 409-413 |
| 8100515 | CIF | Cs2 H12 Mg O14 Se2 | P 1 21/a 1 | 9.5128; 13.0372; 6.473 90; 106.244; 90 | 770.74 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
| 8100516 | CIF | Cs2 H12 Mn O14 Se2 | P 1 21/a 1 | 9.5914; 13.141; 6.504 90; 106.38; 90 | 786.5 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
| 8100517 | CIF | Co Cs2 H12 O14 Se2 | P 1 21/a 1 | 9.4936; 13.009; 6.4833 90; 106.239; 90 | 768.76 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
| 8100518 | CIF | Cs2 H12 Ni O14 Se2 | P 1 21/a 1 | 9.426; 12.961; 6.4731 90; 106.17; 90 | 759.5 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
| 8100519 | CIF | Cs2 H12 O14 Se2 Zn | P 1 21/a 1 | 9.4832; 13.0046; 6.485 90; 106.155; 90 | 768.18 | Euler, H.; Barbier, B.; Meents, A.; Kirfel, A. Crystal structure of Tutton's salts, Cs~2~[M^II^(H~2~O)~2~](SeO~2~) ~2~, M^II^ = Mg, Mn, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2003, 218, 405-408 |
| 8100547 | CIF | C18 H42 Al Br9 N6 O6 | P 1 21/a 1 | 16.088; 12.722; 20.093 90; 94.12; 90 | 4101.8 | Bekaert, A.; Barberan, O.; Kaloun, E. B.; Rabhi, C.; Danan, A.; Brion, J. D.; Lemoine, P.; Viossat, B. Crystal structure of hexakis(N,N-dimethylformamide-O)aluminium(III) tris(tribromide), Al[(CH~3~)~2~N(CH)O]~6~(Br~3~)~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 128-130 |
| 8100619 | CIF | C32 H18 Mg N8 O | P 1 21/a 1 | 13.526; 13.927; 13.559 90; 104.678; 90 | 2470.9 | Mizuguchi, Jin Crystal structure of aquamagnesiumphthalocyanine, (C~32~H~16~N~8~) Mg(H~2~O) Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 251-252 |
| 8100633 | CIF | C13 H16 N4 O S | P 1 21/a 1 | 6.286; 19.268; 11.06 90; 91.84; 90 | 1338.9 | Dridi, Khaireddine; Rzaigui, Mohamed; Zantour, Hedi Crystal structure of 5-ethyl-3-hydroxy-9-tert-butylthieno[3,2-e]-1, 2,4-triazolo[2,3-c]pyrimidine, C~13~H~16~N~4~OS Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 275-276 |
| 8100706 | CIF | C18 H24 O3 | P 1 21/a 1 | 5.9054; 31.84; 8.743 90; 104.504; 90 | 1591.6 | Rademacher, O.; Zimmer, R.; Dinesh, C.U.; Reißig, H.-U. Crystal structure of methyl 4aSR,5RS,12aRS-12a-hydroxy-1,2,3,4,4a, 5,6,11,12,12a-decahydro-dibenzo[a,e][8]annulene-5-carboxylate, C~18~H~24~O~3~ Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 423-424 |
| 8100760 | CIF | C20 H26 B Br F2 N2 O2 | P 1 21/a 1 | 13.0971; 12.0954; 13.577 90; 96.62; 90 | 2136.5 | Euler, H.; Kirfel, A.; Freudenthal, S.J.; Müller, C.E. Crystal structure of 4-bromobutyric acid 3-((4,4-difluoro-1,3,5,7-tetramethyl- 4-bora-3a,4a-diaza-s-indacen)-8-yl)propyl ester, C~20~H~26~BBrF~2~N~2~O~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2002, 217, 541-542 |
| 8100836 | CIF | C11 H7 Cl N2 O3 S | P 1 21/a 1 | 7.066; 21.069; 7.663 90; 93.69; 90 | 1138.5 | Ettorre, Alessandro; Sivestri, Romano; Artico, Marino; Massa, Silvio; La Colla, Paolo Crystal structure of 7-chloropyrrolo[1,2-b][1,2,5]benzothiadiazepin-10(11H)-one-5,5-dioxide, C~11~H~7~N~2~O~3~ClS Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 57-58 |
| 8100842 | CIF | C44 H54 O12 S2 | P 1 21/a 1 | 14.975; 10.908; 26.307 90; 94.387; 90 | 4284 | Nabeshima, T.; Nishida, D.; Horn, E. Crystal structure of 1,19(1,3,2),10,28(1,2)-tetrabenzena3,6,9,11,14, 17,21,24,27,29,32,35-dodecaoxa-37,38-dithiobicyclo [17.17.2]hexatriacontaphane, C~44~H~54~O~12~S~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 80-82 |
| 8100953 | CIF | C36 H42 Cu N2 O6 | P 1 21/a 1 | 12.856; 16.726; 16.268 90; 96.55; 90 | 3475.3 | Lemoine, Pascale; Tomas, Alain; Nguyen-Huy, Dung; Viossat, Bernard Crystal structure of bis[3,5-diisopropylsalicylato](2,2'-bipyridyl)- copper(II), C~36~H~42~CuN~2~O~6~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 280-282 |
| 8101000 | CIF | C32 H16 Mg N8 | P 1 21/a 1 | 18.971; 4.916; 14.401 90; 119.89; 90 | 1164.3 | Mizuguchi, Jin Crystal structure of magnesiumphthalocyanine, C~32~H~16~N~8~Mg Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 377-378 |
| 8101117 | CIF | C12 H24 Cu N2 O8 | P 1 21/a 1 | 7.1669; 12.336; 9.481 90; 110.96; 90 | 782.8 | Krimi Ammar, Mehrzia; Ben Amor, Fatma; Driss, Ahmed; Jouini, Tahar Refinement of the crystal structure of di(acetatodiethanolamin)copper (II) complex, Cu[N(CH~2~COO)(CH~2~CH~2~OH)~2~]~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2001, 216, 631-632 |
| 8101197 | CIF | C23 H44 O5 Si | P 1 21/a 1 | 13.117; 8.736; 22.362 90; 101.36; 90 | 2512.3 | Wittenberg, J.; Wartchow, Rudolf; Hoffmann, H. M. R. Crystal structure of 1,8-dimethyl-7α-methoxy-10α-(triisopropylsilyloxy)- (2β)-12-oxatricyclo[6.3.1.0^2,7^]dodecane-3β,4α- diol, [(C~3~H~7~)~3~SiO](CH~3~)~2~(OH)~2~(OCH~3~)(C~11~H~12~O) Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 153-154 |
| 8101270 | CIF | C14 H22 O3 S2 Si2 | P 1 21/a 1 | 12.267; 11.548; 13.242 90; 91.13; 90 | 1875.3 | Zhang, S.-Z.; Sato, S.; Horn, E.; Furukawa, Naomichi Crystal structure of 1-oxa-6-thia-7,10-bis(trimethylsilyl)-11-sulfoxide- spiro[4.4.5]undeca-3,8-dien-2-one, C~14~H~22~O~3~S~2~Si~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 359-360 |
| 8101340 | CIF | C62 H60 N2 P2 | P 1 21/a 1 | 15.944; 26.895; 13.359 90; 100.45; 90 | 5633.5 | Neuman, Alain; Leroux, Yves; El Manouni, Driss; Prangé, Thierry Crystal structure of 9-benzoyl-5-methoxy-7-phenyl-7-phthalimido-2, 2,3,3-tetramethyl-1,4,6-trioxa-5-phospha(V)spiro[4.4]non-8-en, C~62~H~60~N~2~O~14~P~2~ and of dimethyl 3-(4,4,4',4',5,5,5',5'-octamethyl-1,1',3,3'-tetraoxa-2-phospha(V)-spiro[4.4] nonanyl)-2(N,N-dimethyl)succinate), C~20~H~38~NO~8~P, two tetraoxaspiro-phosphorane(V) intermediates Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 539-543 |
| 8101352 | CIF | C15 H17 N3 O2 | P 1 21/a 1 | 11.886; 10.672; 12.198 90; 106.06; 90 | 1486.9 | Matos Beja, A.; Paixão, J. A.; Ramos Silva, M.; Alte da Veiga, L. Crystal structure of N,N'-diphenylguanidinium acetate, C~13~H~14~N~3~ ^+^C~2~H~3~O~2~^‒^ Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 579-580 |
| 8101393 | CIF | H12 Mg O14 Rb2 S2 | P 1 21/a 1 | 9.226; 12.472; 6.217 90; 105.982; 90 | 687.7 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
| 8101394 | CIF | H12 Mn O14 Rb2 S2 | P 1 21/a 1 | 9.282; 12.6; 6.254 90; 105.94; 90 | 703.3 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
| 8101395 | CIF | Fe H12 O14 Rb2 S2 | P 1 21/a 1 | 9.224; 12.51; 6.2551 90; 105.75; 90 | 694.7 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
| 8101396 | CIF | Co H12 O14 Rb2 S2 | P 1 21/a 1 | 9.197; 12.446; 6.2364 90; 106.041; 90 | 686.1 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
| 8101397 | CIF | H12 Ni O14 Rb2 S2 | P 1 21/a 1 | 9.131; 12.41; 6.221 90; 106.06; 90 | 677.5 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
| 8101398 | CIF | H12 O14 Rb2 S2 Zn | P 1 21/a 1 | 9.179; 12.441; 6.239 90; 105.93; 90 | 685.1 | Euler, H.; Barbier, B.; Klumpp, S.; Kirfel, A. Crystal structure of Tutton's salts, Rb~2~[M^II^(H~2~O)~6~](SO~4~) ~2~, M^II^ = Mg, Mn, Fe, Co, Ni, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2000, 215, 473-476 |
| 8101576 | CIF | C12 H24 Mg N2 O14 | P 1 21/a 1 | 11.833; 6.681; 12.396 90; 93.682; 90 | 978 | Muthuraman, Meiyappan; Bordet, Pierre; Le Fur, Yvette Crystal structure of hexaaquamagnesium bis(p-nitrophenolate) dihydrate, Mg(H~2~O)~6~(O~2~NC~6~H~4~O)~2~ · 2H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 1999, 214, 527-528 |
| 8101646 | CIF | C13 H16 I2 O3 | P 1 21/a 1 | 9.246; 12.879; 13.404 90; 106.66; 90 | 1529.1 | Zukerman-Schpector, J.; Stefani, A. Helio; Valduga, Claudéte I.; Brandt, Carlos A.; Caracelli, I. Crystal structure of 5-(iodomethyl)-3-(5-iodo-7-oxabicyclo[4.3.0]non- 8-ylidene)oxolan-2-one, C~13~H~16~I~2~O~3~ Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 733-734 |
| 8101652 | CIF | C19 H15 N O | P 1 21/a 1 | 21.741; 7.584; 8.802 90; 97.3; 90 | 1439.5 | Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Lokshin, Vladimir; Guglielmetti, Robert; Pèpe, Gérard Crystal structure of 8-methyl-8-phenyl-[8<i>H</i>]-pyrano[3,2-<i>f </i>]quinoline, C~19~H~15~NO Zeitschrift für Kristallographie - New Crystal Structures, 1998, 213, 743-744 |
| 8101767 | CIF | C32 H56 N4 O20 P4 | P 1 21/a 1 | 13.412; 9.16; 18.128 90; 104.41; 90 | 2157 | H. Hemissi; S. Abid; M. Rzaigui Crystal structure of tetrakis(4-methoxybenzyl-ammonium) cyclotetraphosphate tetrahydrate, (C~8~H~12~NO)~4~[P~4~O~12~] · 4H~2~O Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 265-266 |
| 8101785 | CIF | C31 H32 N8 | P 1 21/a 1 | 9.581; 16.381; 17.803 90; 100.92; 90 | 2743.5 | T. Irrgang; R. Kempe Crystal structure of N,N'-bis(2,4-dimethyl-5-phenylimidazo[1,5-b]pyridazin- 7-yl)-1,3-diaminopropane, C~31~H~32~N~8~ Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 403-404 |
| 8101824 | CIF | C8 H40 N8 O24 P8 Zn8 | P 1 21/a 1 | 7.8357; 8.2543; 14.7908 90; 95.76; 90 | 951.81 | S. Natarajan; Yu. Prots; R. Niewa; R. Kniep Crystal structure of 1,2-ethylenediamine-dizinc diphosphate(III), Zn~2~(C~2~H~8~N~2~)(HPO~3~)~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2005, 220, 455-456 |
| 8101913 | CIF | C6 H8 Br N3 O2 | P 1 21/a 1 | 6.3952; 11.1267; 12.0785 90; 97.274; 90 | 852.56 | Balliano, T. L.; Pereira, M. A.; De Simone, C. A.; Malta, V. R. S.; Velasquez, N.; Cioletti, A. G.; Goulart, M. O. F. Crystal structure of 1-(2-bromoethyl)-2-methyl-5-nitroimidazole, C~6~H~8~BrN~3~O~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 49-50 |
| 8101983 | CIF | C16 H22 V | P 1 21/a 1 | 12.16; 9.0848; 13.2123 90; 104.822; 90 | 1411.01 | Ernst, R. D.; Basta, R.; Arif, A. M. Crystal structure of bis(6,6-dimethylcyclohexadienyl)vanadium, V(C~8~H~11~) ~2~ Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 289-290 |
| 8101992 | CIF | C12 H14 O2 S | P 1 21/a 1 | 10.787; 10.3955; 10.888 90; 108.928; 90 | 1154.92 | Zukerman-Schpector, J.; Oliveira da Silva, R.; Olivato, P. R.; Vinhato, E.; Rodrigues, A.; Cerqueira, Jr., C. R. Crystal structure of 2-phenylsulfinyl-cyclohexanone, C~12~H~14~O~2~S Zeitschrift für Kristallographie - New Crystal Structures, 2006, 221, 311-312 |
| 8102198 | CIF | C48 H74 F6 N6 O32 V10 | P 1 21/a 1 | 10; 18.713; 19.07 90; 101.06; 90 | 3502.3 | Francesc Yraola; Fernando Albericio; Miriam Royo; Xavier Solans Crystal structure of hexakis(4-fluorophenylethylammonium)decavanadate(V) tetrahydrate, (C8H11FN)6[V10O28] · 4H2O Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 45 |
| 8102248 | CIF | C52 H88 O8 Si8 | P 1 21/a 1 | 18.2222; 12.956; 27.1992 90; 94.449; 90 | 6402 | Osamu Morikawa; Misao Nakamura; Kazuhiro Kobayashi; Hisatoshi Konishi Crystal structure of 14,16,34,36,54,56,74,76-octakis(trimethylsilyloxy)-1,3,5,7(1,3)tetrabenzenacyclooctaphane, C28H16[OSi(CH3)3]8 Zeitschrift für Kristallographie - New Crystal Structures, 2008, 223, 95 |
| 8102447 | CIF | C12 H22 Br3 N3 O3 | P 1 21/a 1 | 11.932; 10.091; 15.514 90; 105.19; 90 | 1802.7 | Alain Bekaert; Bernard Viossat; Jean Daniel Brion; Pascale Lemoine Refinement of crystal structure of tris[pyrrolidine-2-one] hydrogen tribromide, (C4H7NO)3HBr3 Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 676 |
| 8102821 | CIF | C31 H36 O8 | P 1 21/a 1 | 12.9563; 15.054; 15.4461 90; 105.12; 90 | 2908.4 | Pablo Wessig; Annika Matthes; Uwe Schilde Crystal structure of 3,4-diacetyl-15,21-dioxatetracyclo[23.4.0.02,7.06,11]nonacosa-1(29),2,4,6,8,10,25,27-octaene-14,22-dione — water (1:2), C31H32O6 · 2H2O Zeitschrift für Kristallographie - New Crystal Structures, 2010, 225, 744 |
| 8103013 | CIF | Fe H12 K2 O14 S2 | P 1 21/a 1 | 9.0651; 12.252; 6.1646 90; 104.536; 90 | 662.76 | Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel Refinement of the crystal structure of potassium hexaaquairon(II) sulfate, K2[Fe(H2O)6](SO4)2 and potassium hexaaquazinc(II) sulfate, K2[Zn(H2O)6](SO4)2 Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 171 |
| 8103018 | CIF | H12 K2 Mg O14 Se2 | P 1 21/a 1 | 9.264; 12.4207; 6.2514 90; 104.286; 90 | 697.08 | Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel Crystal structure of Tutton's salts K2[MII(H2O)6](SeO4)2, MII = Co, Ni, Zn and refinement of the crystal structure of potassium hexaaquamagnesium(II) selenate, K2[Mg(H2O)6](SeO4)2 Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 351 |
| 8103026 | CIF | H12 Mg O14 Se2 Tl2 | P 1 21/a 1 | 9.434; 12.634; 6.2924 90; 105.719; 90 | 721.9 | Harald Euler; Bruno Barbier; Alke Meents; Armin Kirfel Crystal structure of Tutton's salts Tl2[MII(H2O)6](SeO4)2, MII = Mg, Mn, Co, Ni, Cu, Zn Zeitschrift für Kristallographie - New Crystal Structures, 2009, 224, 360 |
| 8103439 | CIF | Au Br4 Rb | P 1 21/a 1 | 10.299; 6.214; 7.436 90; 121.33; 90 | 406.498 | Baernighausen, H.; Straehle, J. Kristallchemischer Vergleich der Strukturen von Rb Au Cl4 und Rb Au Br4. Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1971, 134, 471-472 |
| 8103462 | CIF | B Mg0.76 Mn1.24 O4 | P 1 21/a 1 | 9.37; 9.279; 3.181 90; 85.65; 90 | 275.773 | Norrestam, R. Structural investigations of two synthetic warwickites: Undistorted orthorhombic Mg Sc O B O3 and distorted monoclinic Mg0.76 Mn1.24 O B O3 Zeitschrift fuer Kristallographie (149,1979-), 1989, 189, 1-11 |
| 8103480 | CIF | B4 N4 O72 Si32 | P 1 21/a 1 | 13.112; 12.903; 12.407 90; 113.5; 90 | 1924.97 | Rius, J.; Gies, H. Ab-initio structure determination of zeolite RUB-10 from low resolution X-ray powder diffraction data Zeitschrift fuer Kristallographie (149,1979-), 1995, 210, 475-480 |
| 8103605 | CIF | Bi Br3 | P 1 21/a 1 | 8.429; 9.848; 6.756 90; 109.65; 90 | 528.148 | von Benda, H. Zur Polymorphie des Wismuttribromids Zeitschrift fuer Kristallographie (149,1979-), 1980, 151, 271-285 |
| 8103652 | CIF | As2 S4 Tl2 | P 1 21/a 1 | 12.276; 11.299; 6.101 90; 104.08; 90 | 820.825 | Fleet, M.E. The crystal structure and bonding of lorandite, Tl2 As2 S4 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1973, 138, 147-160 |
| 8103738 | CIF | B8 Na2 O13 | P 1 21/a 1 | 6.542; 17.796; 8.429 90; 96.49; 90 | 975.028 | Bubnova, R.S.; Filatov, S.K.; Shepelev, Yu.F.; Sennova, N.A. Thermal behaviour of the rigid boron-oxygen groups in the alpha-(Na2 B8 O13) crystal structure Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 444-450 |
| 8103739 | CIF | B8 Na2 O13 | P 1 21/a 1 | 6.554; 17.861; 8.445 90; 95.15; 90 | 984.589 | Bubnova, R.S.; Shepelev, Yu.F.; Sennova, N.A.; Filatov, S.K. Thermal behaviour of the rigid boron-oxygen groups in the alpha-(Na2 B8 O13) crystal structure Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 444-450 |
| 8103782 | CIF | H8 Mo N2 O4 | P 1 21/a 1 | 7.6757; 11.2053; 7.1264 90; 115.727; 90 | 552.173 | Schweda, E.; Hofmann, M.; Dittmann, M.; Glaser, J. Phase transformation of ammonium monomolybdate. The structure of the low temperature modification, (N H4)2 (Mo O4) (mP60, P21/a) Zeitschrift fuer Kristallographie (149,1979-), 2002, 217, 164-167 |
| 8103809 | CIF | Cu F H O | P 1 21/a 1 | 5.301; 6.376; 5.074 90; 112.9; 90 | 157.981 | Giester, G.; Libowitzky, E. Crystal structures and Raman spectra of Cu (O H) F and Cu3 (O H)2 F4 Zeitschrift fuer Kristallographie (149,1979-), 2003, 218, 351-356 |
| 8103959 | CIF | Al8.05 Fe1.05 Mg3.15 O20 Si1.75 | P 1 21/a 1 | 11.31; 14.48; 9.99 90; 125.4; 90 | 1333.59 | Merlino, S. Crystal structure of sapphirine -1Tc Zeitschrift fuer Kristallographie (149,1979-), 1980, 151, 91-100 |
| 8103962 | CIF | H10 K2 Mn3 O21 S4 | P 1 21/a 1 | 9.969; 9.75; 19.168 90; 103.96; 90 | 1808.06 | Hidalgo, H.; Keremidchieva, B.; Veintemillas, S.; Balarew, C.; Rodriguez-Clemente, R.; Molins, E.; Spasov, V. Crystal structure of dipotassium trimanganese tetrakis(sulfate) pentahydrate K2 Mn3 (S O4)4 (H2 O)5 Zeitschrift fuer Kristallographie (149,1979-), 1996, 211, 153-157 |
| 8104507 | CIF | Co1.05 Ni1.95 O8 P2 | P 1 21/a 1 | 10.185; 4.713; 5.865 90; 91.09; 90 | 281.48 | Nord, A.G. Crystallographic studies of olivine-related sarcopside-type solutions Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 159-176 |
| 8104508 | CIF | Co1.95 Ni1.05 O8 P2 | P 1 21/a 1 | 10.247; 4.728; 5.889 90; 91.07; 90 | 285.259 | Nord, A.G. Crystallographic studies of olivine-related sarcopside-type solutions Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 159-176 |
| 8104509 | CIF | Mn0.9 Ni2.1 O8 P2 | P 1 21/a 1 | 10.267; 4.726; 5.961 90; 90.82; 90 | 289.209 | Nord, A.G. Crystallographic studies of olivine-related sarcopside-type solutions Zeitschrift fuer Kristallographie (149,1979-), 1984, 166, 159-176 |
| 8105319 | CIF | C8 H10 Bi Cl5 N4 O2 | P 1 21/a 1 | 9.1065; 14.595; 12.7195 90; 93.557; 90 | 1687.28 | Hao, Munan; Jin, Shifeng; Ma, Yuxin; Zhou, Junyan; Zhang, Zeyu; Zhao, Changchun The crystal structure of bis(2-hydroxypyrimidinium) pentachloridobismuthate(III), (C4N2H5O)2BiCl5 Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 885-886 |
| 8105450 | CIF | C20 H26 N4 O4 | P 1 21/a 1 | 12.107; 7.8431; 21.794 90; 98.233; 90 | 2048.2 | Chen, Xiao-Li; Sun, Le-Tao; Zhang, Qi-Long; Xu, Hong; Yang, Xian-Jiong Crystal structure of (E)-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene) nicotinohydrazide monohydrate, C20H24N4O3 ⋅ H2O Zeitschrift für Kristallographie - New Crystal Structures, 2020, 235, 1301-1302 |
| 8107139 | CIF | C19 H17 N3 O3 | P 1 21/a 1 | 7.1173; 25.051; 9.3822 90; 100.484; 90 | 1644.9 | Aqlan, Faisal M. S.; Nadeem Arshad, Muhammad; Asiri, Abdullah M.; Khan, Khalid A.; Zayed, Mohie E. M. The crystal structure of 4-[(benzo[1,3]dioxol-5-ylmethylene)-amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one, C19H17N3O3 Zeitschrift für Kristallographie - New Crystal Structures, 2016, 231, 1181-1183 |
| 9000125 | CIF | B6 H8 O14 Sr | P 1 21/a 1 | 14.39; 8.213; 9.934 90; 114.03; 90 | 1072.3 | Clark, J. R. The crystal structure of tunellite, SrB6O9(OH)2.3H2O American Mineralogist, 1964, 49, 1549-1568 |
| 9000131 | CIF | Cs O6 U V | P 1 21/a 1 | 10.51; 8.45; 7.32 90; 106.08; 90 | 624.652 | Appleman, D. E.; Evans, H. T. The crystal structures of synthetic anhydrous carnotite, K2(UO2)2V2O8, and its cesium analogue, Cs2(UO2)2V2O8 American Mineralogist, 1965, 50, 825-842 |
| 9000164 | CIF | As2 H8 Mn7 O16 | P 1 21/a 1 | 11.03; 12.12; 5.51 90; 114.07; 90 | 672.548 | Moore, P. B. Crystal chemistry of the basic manganese arsenate minerals: II. The crystal structure of allactite American Mineralogist, 1968, 53, 733-741 |
| 9000181 | CIF | Al H12 Na O14 S2 | P 1 21/a 1 | 7.353; 25.225; 6.097 90; 95.2; 90 | 1126.21 | Robinson, P. D.; Fang, J. H. Crystal structures and mineral chemistry of double-salt hydrates: I. Direct determination of the crystal structure of tamarugite American Mineralogist, 1969, 54, 19-30 |
| 9000182 | CIF | Al9 Mg3.5 O20 Si1.5 | P 1 21/a 1 | 11.266; 14.401; 9.929 90; 125.46; 90 | 1312.11 | Moore, P. B. The crystal structure of sapphirine American Mineralogist, 1969, 54, 31-49 |
| 9000188 | CIF | Fe2 H18 Mn O18 P2 | P 1 21/a 1 | 9.647; 7.428; 10.194 90; 104.63; 90 | 706.796 | Baur, W. H. A comparison of the crystal structures of pseudolaueite and laueite American Mineralogist, 1969, 54, 1312-1323 |
| 9000201 | CIF | H2 Mn7 O14 Si3 | P 1 21/a 1 | 10.842; 4.826; 11.324 90; 103.93; 90 | 575.086 | Moore, P. B. Edge-sharing silicate tetrahedra in the crystal structure of leucophoenicite American Mineralogist, 1970, 55, 1146-1166 |
| 9000209 | CIF | B14 Ca H16 O31 Sr | P 1 21/a 1 | 12.817; 14.448; 12.783 90; 101.42; 90 | 2320.29 | Konnert, J. A.; Clark, J. R.; Christ, C. L. Crystal structure of strontioginorite, (Sr,Ca)2B14O20(OH)6.5H2O American Mineralogist, 1970, 55, 1911-1931 |
| 9000259 | CIF | Fe2.34 Mg0.03 Mn0.63 O8 P2 | P 1 21/a 1 | 10.437; 4.768; 6.026 90; 90; 90 | 299.876 | Moore, P. B. Sarcopside: Its atomic arrangement American Mineralogist, 1972, 57, 24-35 |
| 9000264 | CIF | B6 Ca H10 O15 | P 1 21/a 1 | 12.882; 16.36; 6.558 90; 121.62; 90 | 1176.92 | Konnert, J. A.; Clark, J. R.; Christ, C. L. Gowerite, CaB5O8(OH).B(OH)3.3H2O: Crystal structure and comparison with related borates American Mineralogist, 1972, 57, 381-396 |
| 9000285 | CIF | Ca3 Mg O8 Si2 | P 1 21/a 1 | 13.254; 5.293; 9.328 90; 91.9; 90 | 654.031 | Moore, P. B.; Araki, T. Atomic arrangement of merwinite, Ca3Mg[SiO4]2, an unusual dense-packed structure of geophysical interest American Mineralogist, 1972, 57, 1355-1374 |
| 9000381 | CIF | As2 B12 Ca4 H40 Mg O48 | P 1 21/a 1 | 15.675; 19.92; 6.255 90; 99.33; 90 | 1927.26 | Dal Negro, A.; Kumbasar, I.; Ungaretti, L. The crystal structure of teruggite American Mineralogist, 1973, 58, 1034-1043 |
| 9000399 | CIF | Cu2 H7 O9 P Zn | P 1 21/a 1 | 9.8275; 10.2244; 7.5322 90; 103.18; 90 | 736.901 | Ghose, S.; Leo, S. R.; Wan, C. Structural chemistry of copper and zinc minerals. Part I. Veszelyite, (Cu,Zn)2ZnPO4(OH)3.2H2O: A novel type of sheet structure and crystal chemistry of copper-zinc substitution Locality: Arakawa mine, Japan American Mineralogist, 1974, 59, 573-581 |
| 9000403 | CIF | Be Ca H O5 P | P 1 21/a 1 | 9.789; 7.661; 4.804 90; 90.02; 90 | 360.269 | Lager, G. A.; Gibbs, G. V. A refinement of the crystal structure of herderite, CaBePO4OH American Mineralogist, 1974, 59, 919-925 |
| 9000420 | CIF | Be2 Ca O8 P2 | P 1 21/a 1 | 8.299; 8.782; 7.798 90; 90.5; 90 | 568.311 | Lindbloom, J. T.; Gibbs, G. V.; Ribbe, P. H. The crystal structure of hurlbutite: A comparison with danburite and anorthite American Mineralogist, 1974, 59, 1267-1271 |
| 9000422 | CIF | Mg1.999 Nd4 O22 Si4 Ti3.001 | P 1 21/a 1 | 13.328; 5.727; 10.971 90; 100.91; 90 | 822.275 | Calvo, C.; Faggiani, R. A re-investigation of the crystal structures of chevkinite and perrierite Coordinates to O8 revised by Dr. Zhuming Yang, December 2001 American Mineralogist, 1974, 59, 1277-1285 |
| 9000423 | CIF | Co2 Nd4 O22 Si4 Ti3 | P 1 21/a 1 | 13.325; 5.706; 10.998 90; 100.82; 90 | 821.339 | Calvo, C.; Faggiani, R. A re-investigation of the crystal structures of chevkinite and perrierite American Mineralogist, 1974, 59, 1277-1285 |
| 9000424 | CIF | La4 Mg2 O22 Si4 Ti3 | P 1 21/a 1 | 13.818; 5.677; 11.787 90; 113.85; 90 | 845.672 | Calvo, C.; Faggiani, R. A re-investigation of the crystal structures of chevkinite and perrierite American Mineralogist, 1974, 59, 1277-1285 |
| 9000442 | CIF | B H Mg O3 | P 1 21/a 1 | 12.577; 10.393; 3.139 90; 95.9; 90 | 408.134 | Takeuchi, Y.; Kudoh, Y. Szaibelyite, Mq2(OH)[B2O4(OH)]: Crystal structure, pseudosymmetry, and polymorphism American Mineralogist, 1975, 60, 273-279 |
| 9000451 | CIF | Fe3 H2 O9 P2 | P 1 21/a 1 | 9.431; 10.066; 8.04 90; 117.6; 90 | 676.401 | Moore, P. B.; Araki, T. The Fe3(H2O)n[PO4]2 homologous series. II. The crystal structure of Fe3(H2O)[PO4]2 American Mineralogist, 1975, 60, 454-459 |
| 9000456 | CIF | Ga2.003 O8 Si1.997 Sr | P 1 21/a 1 | 9.0009; 9.484; 8.3987 90; 90.682; 90 | 716.9 | Phillips, M. W.; Kroll, H.; Pentinghaus, H.; Ribbe, P. H. The structures of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8 American Mineralogist, 1975, 60, 659-666 |
| 9000457 | CIF | Ga2 Ge2 O8 Sr | P 1 21/a 1 | 9.2056; 9.6602; 8.5834 90; 90.432; 90 | 763.282 | Phillips, M. W.; Kroll, H.; Pentinghaus, H.; Ribbe, P. H. The structure of synthetic paracelsian analogs, SrGa2Si2O8 and SrGa2Ge2O8 American Mineralogist, 1975, 60, 659-666 |
| 9000489 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.069; 8.722; 6.566 90; 113.86; 90 | 370.234 | Speer, J. A.; Gibbs, G. V. The crystal structure of synthetic titanite, CaTiOSiO4, and the domain textures of natural titanites American Mineralogist, 1976, 61, 238-247 |
| 9000509 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.068; 8.714; 6.562 90; 113.82; 90 | 369.731 | Taylor, M.; Brown, G. E. High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 25 deg C American Mineralogist, 1976, 61, 435-447 |
| 9000510 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.067; 8.726; 6.568 90; 113.77; 90 | 370.668 | Taylor, M.; Brown, G. E. High-temperature structural study of the P2_1/a - A2/a phase transition in synthetic titanite, CaTiSiO5 T = 165 deg C American Mineralogist, 1976, 61, 435-447 |
| 9000518 | CIF | Al2 Ca2 H6 O22 Si6 Sn | P 1 21/a 1 | 15.892; 7.721; 7.438 90; 101.34; 90 | 894.841 | Kossiakoff, A. A.; Leavens, P. B. The crystal structure of eakerite, a calcium-tin silicate Note: z-coordinate of Si2 altered American Mineralogist, 1976, 61, 956-962 |
| 9000542 | CIF | Al2 Ca0.13 O8 Si2 Sr0.87 | P 1 21/a 1 | 8.888; 9.344; 8.326 90; 90.33; 90 | 691.458 | Griffen, D. T.; Ribbe, P. H.; Gibbs, G. V. The structure of slawsonite, a strontium analog of paracelsian American Mineralogist, 1977, 62, 31-35 |
| 9000547 | CIF | Cu5 O12 P2 | P 1 21/a 1 | 9.186; 10.684; 4.461 90; 92.31; 90 | 437.461 | Anderson, J. B.; Shoemaker, G. L.; Kostiner, E.; Ruszala, F. A. The crystal structure of synthetic Cu5(PO4)2(OH)4, a polymorph of pseudomalachite American Mineralogist, 1977, 62, 115-121 |
| 9000587 | CIF | B12 H16 Mg Na2 O28 | P 1 21/a 1 | 18.886; 7.521; 7.815 90; 97.72; 90 | 1099.99 | Ghose, S.; Wan, C. Aristarainite: Na2Mg[B6O8(OH)4]2.4H2O: a sheet structure with chains of hexaborate polyanions American Mineralogist, 1977, 62, 979-989 |
| 9000588 | CIF | Fe9 H5 O25 Si6 | P 1 21/a 1 | 10.786; 18.88; 9.564 90; 107.45; 90 | 1857.98 | Fleet, M. E. The crystal structure of deerite Note: sample is from a riebeckite-deerite-garnet schist near Panoche, San Benito County, California, USA American Mineralogist, 1977, 62, 990-998 |
| 9000590 | CIF | Al1.85 Ca2.89 K0.51 O15 S0.95 Si3.15 | P 1 21/a 1 | 24.03; 5.11; 10.88 90; 106.94; 90 | 1278.02 | Mellini, M.; Merlino, S.; Rossi, G. The crystal structure of tuscanite Note Sample from the pumice deposit in Pitigliano, Tuscany, Italy American Mineralogist, 1977, 62, 1114-1120 |
| 9000765 | CIF | As2 O5 Pb2 | P 1 21/a 1 | 13.584; 5.65; 8.551 90; 108.78; 90 | 621.346 | Araki, T.; Moore, P. B.; Brunton, G. D. The crystal structure of paulmooreite, Pb2[As2O5]: dimeric arsenite groups American Mineralogist, 1980, 65, 340-345 |
| 9000924 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.05; 8.681; 6.539 90; 113.9; 90 | 365.879 | Hollabaugh, C. L.; Foit, F. F. The crystal structure of an Al-rich titanite from Grisons, Switzerland American Mineralogist, 1984, 69, 725-732 |
| 9000937 | CIF | Fe2.11 Ni0.89 O8 P2 | P 1 21/a 1 | 10.363; 4.732; 5.99 90; 90.91; 90 | 293.699 | Ericsson, T.; Nord, A. G. Strong cation ordering in olivine-related (Ni,Fe)-sarcopsides: a combined Mossbauer, X-ray and neutron diffraction study neutron diffraction American Mineralogist, 1984, 69, 889-895 |
| 9000941 | CIF | Be2 Ce0.08 Dy0.112 Er0.042 Fe0.864 Gd0.084 Nd0.14 O10 Si2 Sm0.084 Y1.3 | P 1 21/a 1 | 10; 7.565; 4.768 90; 90.31; 90 | 360.694 | Miyawaki, R.; Nakai, I.; Nagashima, K. A refinement of the crystal structure of gadolinite American Mineralogist, 1984, 69, 948-953 |
| 9000981 | CIF | Ca Fe3 H O9 Si2 | P 1 21/a 1 | 13.008; 8.784; 5.836 90; 90.21; 90 | 666.83 | Ghose, S.; Sen Gupta, P. K.; Schlemper, E. O. Electron ordering in ilvaite, a mixed-valence iron silicate: crystal structure refinement at 138 K Sample: T = 138 K American Mineralogist, 1985, 70, 1248-1252 |
| 9000987 | CIF | As2 Cu3 O8 | P 1 21/a 1 | 5.079; 11.611; 5.394 90; 111.72; 90 | 295.513 | Hawthorne, F. C. Lammerite, Cu3(AsO4)2, a modulated close-packed structure American Mineralogist, 1986, 71, 206-209 |
| 9001014 | CIF | Al Be H O5 Si | P 1 21/a 1 | 4.78; 14.322; 4.6335 90; 100.31; 90 | 312.084 | Hazen, R. M.; Au, A. Y.; Finger, L. W. High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = .001 kbar American Mineralogist, 1986, 71, 977-984 |
| 9001015 | CIF | Al Be O5 Si | P 1 21/a 1 | 4.759; 14.255; 4.612 90; 100.24; 90 | 307.892 | Hazen, R. M.; Au, A. Y.; Finger, L. W. High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = 21 kbar American Mineralogist, 1986, 71, 977-984 |
| 9001016 | CIF | Al Be O5 Si | P 1 21/a 1 | 4.746; 14.189; 4.599 90; 100.18; 90 | 304.826 | Hazen, R. M.; Au, A. Y.; Finger, L. W. High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = 42 kbar American Mineralogist, 1986, 71, 977-984 |
| 9001017 | CIF | Al Be O5 Si | P 1 21/a 1 | 4.73; 14.136; 4.58 90; 100.16; 90 | 301.432 | Hazen, R. M.; Au, A. Y.; Finger, L. W. High-pressure crystal chemistry of beryl (Be3Al2Si6O18) and euclase (BeAlSiO4OH) Sample: Pressure = 62 kbar American Mineralogist, 1986, 71, 977-984 |
| 9001025 | CIF | H7 Mn3 O15 P2 | P 1 21/a 1 | 8.528; 13.166; 11.812 90; 110.05; 90 | 1245.87 | Zanazzi, P. F.; Leavens, P. B.; White, J. S. Crystal structure of switzerite, Mn3(PO4)2.7H2O and its relationship to metaswitzerite, Mn3(PO4)2.4H2O American Mineralogist, 1986, 71, 1224-1228 |
| 9001039 | CIF | Ca H12 O17 Si2 U2 | P 1 21/a 1 | 13.966; 15.443; 6.632 90; 91.38; 90 | 1429.95 | Viswanathan, K.; Harneit, O. Refined crystal structure of beta-uranophane, Ca(UO2)2(SiO3OH)2.5H2O American Mineralogist, 1986, 71, 1489-1493 |
| 9001493 | CIF | Be2 Ca3 H10 O20 P4 | P 1 21/a 1 | 7.3482; 15.0522; 7.0685 90; 96.519; 90 | 776.768 | Kampf, A. R. Beryllophosphate chains in the structures of fransoletite, parafransoletite, and ehrleite and some general comments on beryllophosphate linkages American Mineralogist, 1992, 77, 848-856 |
| 9001845 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.057; 8.71; 6.555 90; 113.84; 90 | 368.535 | Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E. Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: Dy-Al American Mineralogist, 1997, 82, 512-516 |
| 9002233 | CIF | Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 | P 1 21/a 1 | 13.006; 8.808; 5.85 90; 90.34; 90 | 670.146 | Bonazzi, P.; Bindi, L. Structural adjustments induced by heat treatment in ilvaite Sample: RM at room temperature American Mineralogist, 1999, 84, 1604-1612 |
| 9002234 | CIF | Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 | P 1 21/a 1 | 13.015; 8.803; 5.842 90; 90.16; 90 | 669.321 | Bonazzi, P.; Bindi, L. Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 400 deg C American Mineralogist, 1999, 84, 1604-1612 |
| 9002235 | CIF | Al0.04 Ca Fe2.88 H Mg0.03 Mn0.05 O9 Si2 | P 1 21/a 1 | 13.014; 8.807; 5.846 90; 90.1; 90 | 670.034 | Bonazzi, P.; Bindi, L. Structural adjustments induced by heat treatment in ilvaite Sample: RM at T = 450 deg C American Mineralogist, 1999, 84, 1604-1612 |
| 9002435 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0572; 8.7108; 6.5534 90; 113.786; 90 | 368.643 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #001 at P = 0.21 GPa, T = 300 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002436 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0512; 8.7141; 6.5521 90; 113.735; 90 | 368.54 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #002 at P = 0.87 GPa, T = 609 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002437 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0494; 8.7102; 6.5484 90; 113.742; 90 | 368.054 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #003 at P = 0.71 GPa, T = 483 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002438 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0442; 8.7132; 6.5476 90; 113.705; 90 | 367.968 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #004 at P = 1.21 GPa, T = 670 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002439 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0391; 8.71; 6.5433 90; 113.686; 90 | 367.379 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #005 at P = 1.26 GPa, T = 648 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002440 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0411; 8.7106; 6.5441 90; 113.682; 90 | 367.565 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #006 at P = 1.23 GPa, T = 628 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002442 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0187; 8.6965; 6.5243 90; 113.594; 90 | 364.941 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #008 at P = 1.69 GPa, T = 518 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002443 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0186; 8.6983; 6.5272 90; 113.617; 90 | 365.109 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #009 at P = 1.77 GPa, T = 555 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002451 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.982; 8.6748; 6.4924 90; 113.498; 90 | 360.619 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #017 at P = 2.66 GPa, T = 303 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002476 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.9982; 8.6853; 6.5079 90; 113.523; 90 | 362.689 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #042 at P = 2.25 GPa, T = 440 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002477 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.999; 8.686; 6.5073 90; 113.521; 90 | 362.731 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #043 at P = 2.16 GPa, T = 399 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002478 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 6.9984; 8.6846; 6.5063 90; 113.521; 90 | 362.586 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #044 at P = 2.05 GPa, T = 354 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002479 | CIF | Ca O5 Si Ti | P 1 21/a 1 | 7.0014; 8.6869; 6.5081 90; 113.533; 90 | 362.905 | Kunz, M.; Arlt, T.; Stolz, J. In situ powder diffraction study of titanite (CaTiOSiO4) at high pressure and high temperature Sample #045 at P = 1.88 GPa, T = 301 K American Mineralogist, 2000, 85, 1465-1473 |
| 9002638 | CIF | H8 K2 Mg O12 S2 | P 1 21/a 1 | 11.778; 9.469; 9.851 90; 95.26; 90 | 1094.02 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mg(SO4)2.4H2O, T = 100 K American Mineralogist, 2001, 86, 1282-1292 |
| 9002641 | CIF | H8 K2 Mn O12 S2 | P 1 21/a 1 | 12.031; 9.531; 9.902 90; 95.02; 90 | 1131.08 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Mn(SO4)2.4H2O, T = 110 K American Mineralogist, 2001, 86, 1282-1292 |
| 9002644 | CIF | Fe H8 K2 O12 S2 | P 1 21/a 1 | 11.834; 9.502; 9.913 90; 94.87; 90 | 1110.66 | Hertweck, B.; Giester, G.; Libowitzky, E. The crystal structures of the low-temperature phases of leonite-type compounds, K2Me(SO4)2.4H2O (Me=Mg,Mn,Fe) Sample: K2Fe(SO4)2.4H2O, T = 185 K American Mineralogist, 2001, 86, 1282-1292 |
| 9002662 | CIF | Ca0.64 H2 Mg0.04 Mn6.28 O14 Si3 Zn0.04 | P 1 21/a 1 | 10.8259; 4.8565; 11.3758 90; 103.956; 90 | 580.439 | Welch, M. D.; Marshall, W. G.; Ross, N. L.; Knight, K. S. H positions in leucophoenicite, Mn7Si3(OH)2: A close relative of the hydrous B phases American Mineralogist, 2002, 87, 154-159 |
| 9002886 | CIF | Al3.11 Ca1.11 Ce2.89 Fe0.35 H2 Mg0.54 O22 Si5 | P 1 21/a 1 | 17.77; 5.651; 17.458 90; 116.18; 90 | 1573.26 | Bonazzi, P.; Bindi, L.; Parodi, G. C. Gatelite-(Ce), a new REE-bearing mineral from Trimouns, French Pyrenees: Crystal structure and polysomatic relationships with epidote and tornebohmite-(Ce) American Mineralogist, 2003, 88, 223-228 |
| 9003066 | CIF | Ca O6 Ti2 | P 1 21/a 1 | 5.275; 9.009; 9.557 90; 90.43; 90 | 454.16 | Grey, I. E.; Mumme, W. G.; Pekov, I. V.; Pushcharovsky, D. Y. The crystal structure of chromian kassite from the Saranovskoye deposit, Northern Urals, Russia American Mineralogist, 2003, 88, 1331-1335 |
| 9003083 | CIF | C D K O3 | P 1 21/a 1 | 15.192; 5.629; 3.7067 90; 104.538; 90 | 306.832 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003084 | CIF | C D K O3 | P 1 21/a 1 | 15.103; 5.6152; 3.6963 90; 104.19; 90 | 303.905 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 0.2 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003085 | CIF | C D K O3 | P 1 21/a 1 | 14.746; 5.555; 3.6452 90; 102.87; 90 | 291.092 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 1.8 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003086 | CIF | C D K O3 | P 1 21/a 1 | 14.481; 5.51; 3.616 90; 101.94; 90 | 282.28 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.3 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003087 | CIF | C D K O3 | P 1 21/a 1 | 14.379; 5.494; 3.609 90; 101.64; 90 | 279.241 | Kagi, H.; Nagai, T.; Loveday, J. S.; Wada, C.; Parise, J. B. Pressure-induced phase transformation of kalicinite (KHCO3) at 2.8 GPa and local structural changes around hydrogen atoms Sample: at P = 2.5 GPa American Mineralogist, 2003, 88, 1446-1451 |
| 9003449 | CIF | As0.975 S3 Sb1.025 | P 1 21/a 1 | 11.949; 9.028; 10.13 90; 116.15; 90 | 980.926 | Kyono, A.; Kimata, M. Structural reinvestigation of getchellite As0.98Sb1.02S3.00 American Mineralogist, 2004, 89, 696-700 |
| 9003663 | CIF | Ca Ge O5 Ti0.954 Zr0.046 | P 1 21/a 1 | 7.15; 8.89941; 6.65482 90; 113.73; 90 | 387.649 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti95, titanite structure American Mineralogist, 2005, 90, 687-694 |
| 9003664 | CIF | Ca Ge O5 Ti0.908 Zr0.091 | P 1 21/a 1 | 7.15461; 8.90612; 6.65901 90; 113.701; 90 | 388.523 | Ellemann-Olesen R; Malcherek, T. Temperature and composition dependence of structural phase transitions in Ca(TixZr1-x)OGeO4. Sample: Ti90, titanite structure American Mineralogist, 2005, 90, 687-694 |
| 9003762 | CIF | Ca Ge O5 Ti | P 1 21/a 1 | 7.158; 8.885; 6.649 90; 113.834; 90 | 386.806 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: Single crystal CaTiOGeO4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003763 | CIF | Ca Ge0.901 O5 Si0.098 Ti | P 1 21/a 1 | 7.14287; 8.8782; 6.64268 90; 113.833; 90 | 385.33 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #95, CaTiO(Ge.90Si.10)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003764 | CIF | Ca Ge0.871 O5 Si0.128 Ti | P 1 21/a 1 | 7.1346; 8.87346; 6.63886 90; 113.738; 90 | 384.738 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #90, CaTiO(Ge.87Si.13)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003765 | CIF | Ca Ge0.678 O5 Si0.321 Ti | P 1 21/a 1 | 7.11815; 8.83215; 6.61777 90; 113.767; 90 | 380.765 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #70, CaTiO(Ge.68Si.32)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003766 | CIF | Ca Ge0.49 O5 Si0.51 Ti | P 1 21/a 1 | 7.09534; 8.79173; 6.5962 90; 113.757; 90 | 376.606 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #50, CaTiO(Ge.49Si.51)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003767 | CIF | Ca Ge0.336 O5 Si0.663 Ti | P 1 21/a 1 | 7.09137; 8.78567; 6.59344 90; 113.766; 90 | 375.952 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #30, CaTiO(Ge.34Si.66)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003768 | CIF | Ca Ge0.2 O5 Si0.799 Ti | P 1 21/a 1 | 7.07182; 8.74371; 6.57304 90; 113.782; 90 | 371.925 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #20, CaTiO(Ge.20Si.80)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003769 | CIF | Ca Ge0.096 O5 Si0.903 Ti | P 1 21/a 1 | 7.06582; 8.73056; 6.56626 90; 113.782; 90 | 370.668 | Ellemann-Olesen R; Malcherek, T. A high-temperature diffraction study of the solid solution CaTiOSiO4 - CaTiOGeO4 Note: Titanite structure Sample: #10, CaTiO(Ge.10Si.90)O4 American Mineralogist, 2005, 90, 1325-1334 |
| 9003814 | CIF | C2 H2 O12 Pb4 S | P 1 21/a 1 | 9.104; 20.792; 11.577 90; 90.5; 90 | 2191.33 | Bindi, L.; Menchetti, S. Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 25C American Mineralogist, 2005, 90, 1641-1647 |
| 9004183 | CIF | H8 Mg Na2 O12 S2 | P 1 21/a 1 | 11.126; 8.242; 5.539 90; 100.84; 90 | 498.866 | Hawthorne, F. C. Refinement of the crystal structure of bloedite: Structural similarities in the [M(T_4)2_n] finite-cluster minerals The Canadian Mineralogist, 1985, 23, 669-674 |
| 9004262 | CIF | B3 Ca0.94 H5 O8 | P 1 21/a 1 | 8.712; 11.247; 6.091 90; 110.12; 90 | 560.398 | Burns, P. C.; Hawthorne, F. C. Hydrogen bonding in colemanite: An X-ray and structure-energy study The Canadian Mineralogist, 1993, 31, 297-304 |
| 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 |
| 9004386 | CIF | Ca2 F2 Lu Na O7 Si2 | P 1 21/a 1 | 11.024; 10.303; 7.391 90; 109.4; 90 | 791.809 | Fleet, M. E.; Pan, Y. The structure of NaCa2LuSi2O7F2, a synthetic phase of the cuspidine group The Canadian Mineralogist, 1995, 33, 879-884 |
| 9004557 | CIF | Ca0.83 F Mn Na1.17 O8 Si2 Ti0.612 Zr0.388 | P 1 21/a 1 | 10.798; 9.835; 7.09 90; 108.08; 90 | 715.769 | Perchiazzi, N.; McDonald, A. M.; Gault, R. A.; Johnsen, O.; Merlino, S. The crystal structure of normandite and its crystal-chemical relationships with lavenite The Canadian Mineralogist, 2000, 38, 641-648 |
| 9004558 | CIF | Ca0.936 F Mn0.784 Na1.28 Nb0.124 O8 Si2 Ti0.876 | P 1 21/a 1 | 10.799; 9.801; 7.054 90; 108.075; 90 | 709.758 | Perchiazzi, N.; McDonald, A. M.; Gault, R. A.; Johnsen, O.; Merlino, S. The crystal structure of normandite and its crystal-chemical relationships with lavenite The Canadian Mineralogist, 2000, 38, 641-648 |
| 9004608 | CIF | Be F0.08 Fe0.226 H0.92 Mn0.774 O4.92 P0.988 | P 1 21/a 1 | 5.4044; 14.5145; 4.7052 90; 102.798; 90 | 359.917 | Huminicki, D. M. C.; Hawthorne, F. C. Refinement of the crystal structure of vayrynenite The Canadian Mineralogist, 2000, 38, 1425-1432 |
| 9004925 | CIF | B14 Ca H16 O31 Sr | P 1 21/a 1 | 12.8171; 14.4576; 12.8008 90; 101.327; 90 | 2325.84 | Grice, J. D. Strontioginorite: crystal-structure analysis and hydrogen bonding Sample: Penobsquis, Kings County, New Brunswick, Canada The Canadian Mineralogist, 2005, 43, 1019-1026 |
| 9004926 | CIF | Ca0.903 Fe2.497 H Mn0.6 O9 Si2 | P 1 21/a 1 | 13.025; 8.8514; 5.8486 90; 90.167; 90 | 674.279 | Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K. Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: powder X-ray + neutron analysis The Canadian Mineralogist, 2005, 43, 1043-1053 |
| 9004927 | CIF | Ca Fe2.44 H Mn0.56 O9 Si2 | P 1 21/a 1 | 13.015; 8.843; 5.8396 90; 90.11; 90 | 672.088 | Zotov, N.; Kockelmann, W.; Jacobsen, S. D.; Mitov, I.; Paneva, D.; Vassileva, R. D.; Bonev, I. K. Structure and cation order in manganilvaite: a combined X-ray-diffraction, neutron-diffraction and mossbauer study Sample: Ossikovo Pb-Zn skarn, Rhodope Mountains, Bulgaria Sample: single crystal X-ray analysis The Canadian Mineralogist, 2005, 43, 1043-1053 |
| 9004961 | CIF | C Ca5 O11 Si2 | P 1 21/a 1 | 10.484; 6.712; 14.156 90; 101.27; 90 | 976.93 | Grice, J. D. The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals The Canadian Mineralogist, 2005, 43, 1489-1500 |
| 9004962 | CIF | C2 Ca5 O13 Si2 | P 1 21/a 1 | 15.082; 10.236; 7.572 90; 105.17; 90 | 1128.23 | Grice, J. D. The structure of spurrite, tilleyite and scawtite, and relationships to other silicate-carbonate minerals The Canadian Mineralogist, 2005, 43, 1489-1500 |
| 9005035 | CIF | Ca F2 Na2 O7 Si2 Zr | P 1 21/a 1 | 10.1173; 10.4446; 7.2555 90; 90.039; 90 | 766.697 | Merlino, S.; Perchiazzi, N.; Khomyakov, A. P.; Pushcharovsky, D. Y.; Kulikova, I. M.; Kuzmin, V. I. Burpalite, a new mineral from Burpalinskii massif, North Transbajkal, USSR: its crystal structure and OD character European Journal of Mineralogy, 1990, 2, 177-185 |
| 9005080 | CIF | Al0.003 Ca Fe0.014 O5 Si0.982 Ti0.975 | P 1 21/a 1 | 7.057; 8.707; 6.555 90; 113.81; 90 | 368.494 | Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites European Journal of Mineralogy, 1991, 3, 777-792 |
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