Crystallography Open Database
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Searching space group like 'P 21/b 1 1'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1525162 | CIF | F Fe0.58 H Mg8.42 O17 Si4 | P 21/b 1 1 | 4.7441; 10.2501; 13.6635 100.786; 90; 90 | 652.684 | Robinson, K.; Gibbs, G.V.; Ribbe, P.H. The crystal structures of the humite minerals. IV. Clinohumite and titanclinohumite American Mineralogist, 1973, 58, 43-49 |
1539145 | CIF | Fe1.58 O4 Si | P 21/b 1 1 | 4.805; 10.189; 5.801 91; 90; 90 | 283.963 | Tamada, O.; Shen, B.; Morimoto, N. The crystal structure of laihunite (Fe0.8 Fe0.8 Si O4) Mineralogical Journal (Japan), 1983, 11, 382-391 |
1539365 | CIF | Fe1.568 Mg0.027 O4 Si | P 21/b 1 1 | 4.805; 10.189; 17.403 91; 90; 90 | 851.889 | Shen, B.; Tamada, O.; Kitamura, M.; Morimoto, N. Superstructure of laihunite-3M (Fe0.8 Fe0.8 Si O4) Mineralogical Journal (Japan), 1983, 11, 382-391 |
1540212 | CIF | H2 Mg0.9 Mn8.12 O18 Si4 | P 21/b 1 1 | 4.872; 10.669; 14.287 100.3; 90; 90 | 730.662 | Kato, T.; Ito, Y.; Hashimoto, N. The crystal structures of sonolite and jerrygibbsite Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1989, 9, 410-430 |
1544372 | CIF | F0.16 Fe0.06 H1.86 Mg8.82 Mn0.01 O16.98 Si4 Ti0.05 | P 21/b 1 1 | 4.748; 10.273; 13.6894 100.72; 90; 90 | 656.06 | Ferraris, G.; Prencipe, M.; Sokoliva, E.V.; Gekimyants, V.M.; Spiridonov, E.M. Hydroxylclinohumite, a new member of the humite group: twinning, crystal structure and crystal chemistry of the clinohumite subgroup Z. Kristallogr., 2000, 215, 169-173 |
1544376 | CIF | Al H3 O3 | P 21/b 1 1 | 8.612; 5.013; 9.194 90; 90; 90 | 396.9 | Komatsu, K.; Kuribayashi, T.; Kudoh, Y.; Kagi, H. Crystal structures of high-pressure phases in the alumina-water system: I. single crystal X-ray diffraction and molecular dynamics simulation of eta-Al(OH)3 : sample at 3.0 GPa, RT Z. Kristallogr., 2007, 222, 1-12 |
1544880 | CIF | F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 | P 21/b 1 1 | 4.728; 10.263; 7.872 109.07; 90; 90 | 361.01 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 1 atm Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
1544881 | CIF | F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 | P 21/b 1 1 | 4.7; 10.14; 7.782 109.01; 90; 90 | 350.6 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 3.8 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
1544882 | CIF | F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 | P 21/b 1 1 | 4.686; 10.092; 7.75 108.98; 90; 90 | 346.6 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 5.5 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
1544883 | CIF | F0.74 Fe0.22 H1.26 Mg4.76 O9.26 Si1.99 Ti0.02 | P 21/b 1 1 | 4.666; 10.047; 7.722 108.97; 90; 90 | 342.3 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: natural chondrodite at 7.3 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
1544884 | CIF | H2 Mg4.98 O10 Si2.01 | P 21/b 1 1 | 4.711; 10.239; 7.821 108.65; 90; 90 | 357.4 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: chondrodite-OH at 3.7 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
1544885 | CIF | H2 Mg4.98 O10 Si2.01 | P 21/b 1 1 | 4.696; 10.182; 7.776 108.55; 90; 90 | 352.49 | Kuribayashi, T.; Kagi, H.; Tanaka, M.; Akizuki, M.; Kudoh, Y. High-pressure single crystal X-ray diffraction and FT-IR observation of natural chondrodite and synthetic OH-chondrodite Sample: chondrodite-OH at 5.9 GPa, RT Journal of Mineralogical and Petrological Sciences, 2004, 99, 118-129 |
1545111 | CIF | Ba | P 21/b 1 1 | 11.608; 11.634; 4.634 90; 90; 90 | 625.81 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
1545112 | CIF | Ba | P 21/b 1 1 | 11.6146; 11.6256; 4.6341 90; 90; 90 | 625.727 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
1545113 | CIF | Ba | P 21/b 1 1 | 11.5313; 11.6527; 4.6109 90; 90; 90 | 619.57 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
1545114 | CIF | Ba | P 21/b 1 1 | 11.5457; 11.5882; 4.599 90; 90; 90 | 615.318 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
1545115 | CIF | Ba | P 21/b 1 1 | 11.4996; 11.5527; 4.6035 90; 90; 90 | 611.582 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
1545116 | CIF | Ba | P 21/b 1 1 | 11.439; 11.53; 4.5937 90; 90; 90 | 605.9 | Arakcheeva, Alla; Bykov, Maxim; Bykova, Elena; Dubrovinsky, Leonid; Pattison, Phil; Dmitriev, Vladimir; Chapuis, Gervais Incommensurate atomic density waves in the high-pressure IVb phase of barium IUCrJ, 2017, 4, 152-157 |
4314582 | CIF | C2 H7 Mg O8 P | P 21/b 1 1 | 8.80982; 9.85013; 16.79792 93.3399; 90; 90 | 1455.21 | Rosario M. P. Colodrero; Pascual Olivera-Pastor; Aurelio Cabeza; Maria Papadaki; Konstantinos D. Demadis; Miguel A. G. Aranda Structural Mapping and Framework Interconversions in 1D, 2D, and 3D Divalent Metal R,S-Hydroxyphosphonoacetate Hybrids Inorganic Chemistry, 2010, 49, 761-768 |
4510308 | CIF | C4 H9 N O2 | P 21/b 1 1 | 11.1927; 9.9481; 18.6989 90.406; 90; 90 | 2082 | Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V. One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine Crystal Growth & Design, 2014, 14, 1851 |
4510309 | CIF | C4 H9 N O2 | P 21/b 1 1 | 11.1828; 9.9261; 18.6889 90.679; 90; 90 | 2074.35 | Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V. One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine Crystal Growth & Design, 2014, 14, 1851 |
4510310 | CIF | C4 H9 N O2 | P 21/b 1 1 | 11.1763; 9.915; 18.6822 90.912; 90; 90 | 2069.97 | Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V. One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine Crystal Growth & Design, 2014, 14, 1851 |
4510311 | CIF | C4 H9 N O2 | P 21/b 1 1 | 11.1668; 9.8988; 18.6714 91.313; 90; 90 | 2063.36 | Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V. One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine Crystal Growth & Design, 2014, 14, 1851 |
4510312 | CIF | C4 H9 N O2 | P 21/b 1 1 | 11.1619; 9.887; 18.6616 91.493; 90; 90 | 2058.75 | Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V. One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine Crystal Growth & Design, 2014, 14, 1851 |
7206517 | CIF | C7 H8 O2 | P 21/b 1 1 | 8.1989; 11.5438; 14.516 113.323; 90; 90 | 1261.6 | Lemmerer, Andreas; Esterhuysen, Catharine OHphenol⋯OHalcohol hydrogen-bonding as the preferred hydrogen-bonded interaction in the crystal structures of three isomers of methylolphenol: analysis of hydrogen-bonding interactions in phenol and alcohol containing molecules CrystEngComm, 2011, 13, 5773 |
7211348 | CIF | C11 H0 O2 S4 | P 21/b 1 1 | 3.848; 11.006; 26.045 99.47; 90; 90 | 1088 | Simao, Claudia; Mas-Torrent, Marta; André, Vânia; Teresa Duarte, M.; Techert, Simone; Veciana, Jaume; Rovira, Concepció Solid state photodimerisation of tetrathiafulvalene derivatives bearing carboxylate and carboxylic acid substituents CrystEngComm, 2013, 15, 9878 |
8103634 | CIF | Pr S2 | P 21/b 1 1 | 4.054; 8.058; 8.079 90.08; 90; 90 | 263.918 | Tamazyan, R.; Arnold, H.; Kuz'micheva, G.M.; Molchanov, V.N.; Vasil'eva, I.G. Contribution to the crystal symmetry of rare-earth chalcogenides. II. The crystal structure and twinning of rare-earth disulfide Pr S2 Zeitschrift fuer Kristallographie (149,1979-), 2000, 215, 272-277 |
9000203 | CIF | F1.3 Fe0.05 H0.7 Mg4.95 O8.7 Si2 | P 21/b 1 1 | 4.7284; 10.2539; 7.8404 109.059; 90; 90 | 359.3 | Gibbs, G. V.; Ribbe, P. H.; Anderson, C. P. The crystal structures of the humite minerals. II. Chondrodite American Mineralogist, 1970, 55, 1182-1194 |
9000292 | CIF | Fe0.58 H2 Mg8.42 O18 Si4 | P 21/b 1 1 | 4.7441; 10.2501; 13.6635 100.786; 90; 90 | 652.684 | Robinson, K.; Gibbs, G. V.; Ribbe, P. H. The crystal structures of the humite minerals. IV. Clinohumite and titanclinohumite American Mineralogist, 1973, 58, 43-49 |
9000293 | CIF | Fe1.09 H2 Mg7.44 O18 Si4 Ti0.47 | P 21/b 1 1 | 4.7451; 10.288; 13.709 101; 90; 90 | 656.944 | Robinson, K.; Gibbs, G. V.; Ribbe, P. H. The crystal structures of the humite minerals. IV. Clinohumite and titanoclinohumite American Mineralogist, 1973, 58, 43-49 |
9000654 | CIF | Fe0.59 H2 Mg3.97 O10 Si2 Ti0.44 | P 21/b 1 1 | 4.727; 10.318; 7.9053 109.333; 90; 90 | 363.825 | Fujino, K.; Takeuchi, Y. Crystal chemistry of titanian chondrodite and titanian clinohumite of high-pressure origin American Mineralogist, 1978, 63, 535-543 |
9000655 | CIF | Fe1.14 H1.14 Mg7.44 O18 Si4 Ti0.42 | P 21/b 1 1 | 4.745; 10.283; 13.699 101; 90; 90 | 656.132 | Fujino, K.; Takeuchi, Y. Crystal chemistry of titanian chondrodite and titanian clinohumite of high-pressure origin American Mineralogist, 1978, 63, 535-543 |
9000949 | CIF | F0.94 H1.06 Mg1.947 Mn2.869 O9.06 Si2 Zn0.184 | P 21/b 1 1 | 4.815; 10.574; 8.083 108.74; 90; 90 | 389.719 | Francis, C. A. Crystal structure refinement of magnesian alleghanyite American Mineralogist, 1985, 70, 182-185 |
9001035 | CIF | Fe4.74 O12 Si3 | P 21/b 1 1 | 4.805; 10.189; 17.403 91; 90; 90 | 851.889 | Shen, B.; Tamada, O.; Kitamura, M.; Morimoto, N. Superstructure of laihunite-3M (_.40Fe.80Fe.80SiO4) Sample: Superstructure Fe1B-y coordinate changed by Tamada (Aug, 2001) American Mineralogist, 1986, 71, 1455-1460 |
9002253 | CIF | F1.28 H0.66 Mg9 O16.72 Si4 | P 21/b 1 1 | 4.7405; 10.2377; 13.6496 100.843; 90; 90 | 650.613 | Ottolini, L.; Camara, F.; Bigi, S. An investigation of matrix effects in the analysis of fluorine in humite-group minerals by EMPA, SIMS, and SREF Sample: Chum HV-41 n.2 American Mineralogist, 2000, 85, 89-102 |
9002254 | CIF | F1.04 H0.92 Mg9 O16.96 Si4 | P 21/b 1 1 | 4.7396; 10.2328; 13.6439 100.843; 90; 90 | 649.907 | Ottolini, L.; Camara, F.; Bigi, S. An investigation of matrix effects in the analysis of fluorine in humite-group minerals by EMPA, SIMS, and SREF Sample: Chum HV-41 n.3 American Mineralogist, 2000, 85, 89-102 |
9002255 | CIF | F1.24 H0.76 Mg5 O8.76 Si2 | P 21/b 1 1 | 4.723; 10.2584; 7.8504 109.076; 90; 90 | 359.468 | Ottolini, L.; Camara, F.; Bigi, S. An investigation of matrix effects in the analysis of fluorine in humite-group minerals by EMPA, SIMS, and SREF Sample: Chond HV-43 n.3 American Mineralogist, 2000, 85, 89-102 |
9002256 | CIF | F1.24 H0.76 Mg5 O8.76 Si2 | P 21/b 1 1 | 4.7226; 10.2564; 7.849 109.076; 90; 90 | 359.304 | Ottolini, L.; Camara, F.; Bigi, S. An investigation of matrix effects in the analysis of fluorine in humite-group minerals by EMPA, SIMS, and SREF Sample: Chond HV-43 n.4 American Mineralogist, 2000, 85, 89-102 |
9002536 | CIF | D4 Mg5 O10 Si2 | P 21/b 1 1 | 4.74711; 10.34888; 7.90228 108.678; 90; 90 | 367.771 | Lager, G. A.; Ulmer, P.; Miletich, R.; Marshall, W. G. O-D...O bond geometry in OD-chondrodite American Mineralogist, 2001, 86, 176-180 |
9002537 | CIF | D2 Mg9 O18 Si4 | P 21/b 1 1 | 4.7488; 10.2875; 13.6967 100.63; 90; 90 | 657.646 | Berry, A. J.; James, M. Refinement of hydrogen positions in synthetic hydroxyl-clinohumite by powder neutron diffraction American Mineralogist, 2001, 86, 181-184 |
9002571 | CIF | Fe0.91 H0.92 Mg7.63 O18 Si4 Ti0.454 | P 21/b 1 1 | 4.7344; 10.286; 13.713 101.042; 90; 90 | 655.433 | Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J. Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample from Val Malenco, Italy at T = 295 K American Mineralogist, 2001, 86, 981-989 |
9002572 | CIF | Fe0.91 H0.96 Mg7.65 O18 Si4 Ti0.454 | P 21/b 1 1 | 4.7282; 10.273; 13.702 101.004; 90; 90 | 653.308 | Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J. Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Val Malenco, Italy at T = 100 K American Mineralogist, 2001, 86, 981-989 |
9002573 | CIF | Fe0.87 H0.94 Mg7.69 O18 Si4 Ti0.454 | P 21/b 1 1 | 4.7313; 10.274; 13.695 101.029; 90; 90 | 653.41 | Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J. Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Val Malenco, Italy at T = 20 K American Mineralogist, 2001, 86, 981-989 |
9002574 | CIF | F1.08 H0.8 Mg8.792 O16.88 Si4 Ti0.208 | P 21/b 1 1 | 4.7404; 10.238; 13.651 100.909; 90; 90 | 650.541 | Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J. Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 295 K American Mineralogist, 2001, 86, 981-989 |
9002575 | CIF | F0.98 H0.82 Mg8.772 O17.04 Si4 Ti0.228 | P 21/b 1 1 | 4.7366; 10.226; 13.636 100.904; 90; 90 | 648.555 | Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J. Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 100 K American Mineralogist, 2001, 86, 981-989 |
9002576 | CIF | F0.98 H0.84 Mg8.784 O17.04 Si4 Ti0.216 | P 21/b 1 1 | 4.7362; 10.226; 13.635 100.904; 90; 90 | 648.453 | Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J. Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Kukh-i-Lal, Pamir, Tadjikistan at T = 20 K American Mineralogist, 2001, 86, 981-989 |
9002577 | CIF | F1.14 Fe0.12 H0.86 Mg4.88 O8.86 Si2 | P 21/b 1 1 | 4.7401; 10.2843; 7.8831 109.097; 90; 90 | 363.141 | Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J. Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample from Tilley Foster Mine, Brewster, NY at T = 295 K American Mineralogist, 2001, 86, 981-989 |
9002578 | CIF | F1.136 Fe0.11 H0.864 Mg4.89 O8.864 Si2 | P 21/b 1 1 | 4.7345; 10.2674; 7.8716 109.06; 90; 90 | 361.669 | Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J. Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample: from Tilley Foster Mine, Brewster, NY at T = 100 K American Mineralogist, 2001, 86, 981-989 |
9002579 | CIF | F1.156 Fe0.11 H0.844 Mg4.89 O8.844 Si2 | P 21/b 1 1 | 4.7321; 10.2641; 7.8673 109.052; 90; 90 | 361.189 | Friedrich, A.; Lager, G. A.; Kunz, M.; Chakoumakos, B. C.; Smyth, J. R.; Schultz, A. J. Temperature-dependent single-crystal neutron diffraction study of natural chondrodite and clinohumite Sample from Tilley Foster Mine, Brewster, NY at T = 10 K American Mineralogist, 2001, 86, 981-989 |
9002771 | CIF | F1.16 Fe0.1 H0.84 Mg4.9 O8.84 Si2 | P 21/b 1 1 | 4.7328; 10.2765; 7.876 109.081; 90; 90 | 362.016 | Friedrich, A.; Lager, G. A.; Ulmer, P.; Kunz, M.; Marshall, W. G. High-pressure single-crystal X-ray and powder neutron study of F,OH/OD-chondrodite: Compressibility, structure, and hydrogen bonding Sample: P = 0.0001 GPa, X-ray American Mineralogist, 2002, 87, 931-939 |
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