Crystallography Open Database
Search results
Result: there are 9173 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
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching year of publication is 2001
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 9017847 | CIF | B | R -3 m :H | 4.9179; 4.9179; 12.5805 90; 90; 120 | 263.504 | Will, G.; Kiefer, B. Electron deformation density in alpha-boron Note: alpha-phase Zeitschrift fur Anorganische und Allgemeine Chemie, 2001, 627, 2100-2104 |
| 9017774 | CIF | Al F5 Mg | I m m m | 7.268; 6.123; 3.543 90; 90; 90 | 157.67 | Weil, M.; Werner, F. The thermal dehydration of magnesium aluminum pentafluoride dihydrate: crystal structures of MgAlF5(H2O)2 and MgAlF5 Monatshefte fur Chemie, 2001, 132, 769-777 |
| 9017492 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.762; 10.235; 5.998 90; 90; 90 | 292.337 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional refinement on single-crystal data Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017491 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.7645; 10.23467; 5.99727 90; 90; 90 | 292.445 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: results of the conventional Rietveld refinement on the whole data set Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017490 | CIF | Fe0.23 Mg1.77 O4 Si | P b n m | 4.764; 10.229; 5.996 90; 90; 90 | 292.191 | Heuer, M. The determination of site occupancies using a new strategy in Rietveld refinements Note: for calculation of powder patterns Journal of Applied Crystallography, 2001, 34, 271-279 |
| 9017417 | CIF | Fe H O2 | C m c m | 3.072; 12.516; 3.873 90; 90; 90 | 148.914 | Zhukhlistov, A. P. Crystal structure of lepidocrocite FeO(OH) from the electron-diffractometry data Crystallography Reports, 2001, 46, 730-733 |
| 9017416 | CIF | Ba0.1 Ca0.6 H9.8 K1.55 Mn0.89 Nb0.1 O32.9 Si8 Ti3.9 | C 1 m 1 | 14.365; 13.887; 7.814 90; 117.36; 90 | 1384.42 | Rastsvetaeva, R. K.; Pekov, I. V.; Nekrasov, Y. V. Crystal structure and microtwinning of a calcium-rich analogue of labuntsovite Crystallography Reports, 2001, 46, 365-367 |
| 9017209 | CIF | Ca2 H2 O9 S2 | I 1 2 1 | 12.035; 6.9294; 12.6705 90; 90.266; 90 | 1056.65 | Ballirano, P.; Maras, A.; Meloni, S.; Caminiti, R. The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate European Journal of Mineralogy, 2001, 13, 985-993 |
| 9016722 | CIF | Al2 Ca H4 O10 Si2 | P 1 21/m 1 | 5.178; 12.787; 5.634 90; 124.67; 90 | 306.798 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN97, P = 16.5 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9015900 | CIF | Al2 Ca H4 O10 Si2 | C m c m | 5.714; 8.592; 12.871 90; 90; 90 | 631.898 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN89, P = 9.8 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9015476 | CIF | Al2 Ca H4 O10 Si2 | P 1 21/m 1 | 5.197; 12.863; 5.681 90; 124.48; 90 | 313.053 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN90, P = 11.9 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9015174 | CIF | Fe Nb1.2 O6 Ta0.8 | P b c n | 14.2737; 5.73543; 5.0554 90; 90; 90 | 413.864 | dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Fe(Ta0.4Nb0.6)2O6 Brazilian Journal of Physics, 2001, 31, 616-631 |
| 9015070 | CIF | Ba Cu2 Ge2 O7 | P n m a | 7.04765; 13.407; 7.02755 90; 90; 90 | 664.018 | Yamada, T.; Hiroi, Z.; Takano, M. Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7 Journal of Solid State Chemistry, 2001, 156, 101-109 |
| 9014892 | CIF | Ba Cu2 O7 Si2 | P n m a | 6.86058; 13.17507; 6.89589 90; 90; 90 | 623.31 | Yamada, T.; Hiroi, Z.; Takano, M. Spin-1/2 quantum antiferromagnetic chains with tunable superexchange interactions found in BaCu2(Si1-xGex)2O7 Journal of Solid State Chemistry, 2001, 156, 101-109 |
| 9014401 | CIF | S | P 32 2 1 | 7.0897; 7.0897; 4.30238 90; 90; 120 | 187.282 | Crichton, W. A.; Vaughan, G. B. M.; Mezouar, M. In situ structure solution of helical sulphur at 3 GPa and 400 deg C P = 3 GPa, T = 400 C Zeitschrift fur Kristallographie, 2001, 216, 417-419 |
| 9014279 | CIF | Fe0.09 Mn0.88 Nb0.28 O6 Ta1.72 | P b c n | 14.3196; 5.7413; 5.0624 90; 90; 90 | 416.196 | dos Santos, C. A.; Zawislak, L. I.; Kinast, E. J.; Antonietti, V.; da Cunha, J. B. M. Crystal chemistry and structure of the orthorhombic (Fe,Mn)(Ta,Nb)2O6 family of compounds Note: Sample Mn0.88Fe0.09Ta1.72Nb0.28O6 Brazilian Journal of Physics, 2001, 31, 616-631 |
| 9014088 | CIF | Al2 Ca H4 O10 Si2 | C m c m | 5.849; 8.79; 13.132 90; 90; 90 | 675.152 | Pawley, A. R.; Allan, D. R. A high-pressure study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation Note: Run #BN82, P = 0 GPa Mineralogical Magazine, 2001, 65, 41-58 |
| 9013109 | CIF | Ge | C m c e | 7.886; 4.656; 4.667 90; 90; 90 | 171.359 | Takemura, K.; Schwarz, U.; Syassen, K.; Christensen, N. E.; Hanfland, M.; Novikov, D. L.; Loa, I. High-pressure structures of Ge above 100 GPa Locality: sytnthetic Sample: at P = 135 GPa Note: structure theoretically calculated based on experimental data Physica Status Solidi B, 2001, 223, 385-390 |
| 9013065 | CIF | C2 H24 Al Ce0.54 La0.09 Nd0.26 O24 Pr0.07 S2 Sm0.04 | C 1 2/c 1 | 8.718; 18.313; 13.128 90; 93.9; 90 | 2091.07 | Rouse, R. C.; Peacor, D. R.; Essene, E. J.; Coskren, T. D.; Lauf, R. J. The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with different structures and differentiation of LREE and HREE Geochimica et Cosmochimica Acta, 2001, 65, 1101-1115 |
| 9013064 | CIF | C2 H24 Al Ce0.12 Dy0.04 Eu0.02 Gd0.08 La0.03 Nd0.23 O24 Pr0.03 S2 Sm0.12 Y0.33 | P 1 2/n 1 | 10.289; 9.234; 11.015 90; 108.5; 90 | 992.44 | Rouse, R. C.; Peacor, D. R.; Essene, E. J.; Coskren, T. D.; Lauf, R. J. The new minerals levinsonite-(Y) [(Y,Nd,Ce)Al(SO4)2(C2O4)*12H2O] and zugshunstite-(Ce) [(Ce,Nd,La)Al(SO4)2(C2O4)*12H2O]: coexisting oxalates with different structures and differentiation of LREE and HREE Geochimica et Cosmochimica Acta, 2001, 65, 1101-1115 |
| 9012799 | CIF | Ba3 Fe0.526 H6 In0.475 O24 P6 | R -3 c :H | 9.502; 9.502; 37.116 90; 90; 120 | 2902.16 | Tang, X.; Gentiletti, M. J.; Lachgar, A.; Morozov, V. A.; Lazoryak, B. I. The pillared layered framework of Ba3(In1-xMx)2(HXO4)6(0<=x<=1; M=Fe,Cr; X=P, As): synthesis, crystal structure, thermal stability and Mossbauer spectroscopy Solid State Sciences, 2001, 3, 143-153 |
| 9012773 | CIF | As3 Cu4 Na O12 | C 1 2/c 1 | 12.053; 12.432; 7.2529 90; 117.793; 90 | 961.421 | Krivovichev, S. V.; Filatov, S. K.; Burns, P. C. The Jahn-Teller distortion of copper coordination polyhedra in the alluaudite structural type: Crystal structure of bradaczekite, NaCu4(AsO4)3 Zapiski Vserossijskogo Mineralogicheskogo Obshchestva, 2001, 2001, 1-8 |
| 9012751 | CIF | Ca H12 O17 Si2 U2 | P 1 1 21/b | 6.67; 15.92; 6.985 90; 90; 97.3 | 735.7 | Barinova, A. V.; Rastsvetaeva, R. K.; Sidorenko, G. A.; Pushcharovsky, D. Y. Crystal structure of high-symmetry alpha-uranophane Doklady Chemistry, 2001, 378, 122-124 |
| 9012718 | CIF | K2 O8 Pb S2 | R -3 m :H | 5.497; 5.497; 20.864 90; 90; 120 | 545.984 | Tissot, R. G.; Rodriguez, M. A.; Sipola, D. L.; Voigt, J. A. X-ray powder diffraction study of synthetic palmierite, K2Pb(SO4)2 Powder Diffraction, 2001, 16, 92-97 |
| 9012647 | CIF | Ca0.35 Fe0.14 H10.8 Hf0.03 K0.09 Mn0.08 Na2.39 O18.9 Si6 Ti0.03 Zr0.8 | R 3 :H | 10.18; 10.18; 13.13 90; 90; 120 | 1178.4 | Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V. Refined crystal structure of lovozerite Na2CaZr[Si6O12(OH,O)6]*H2O Crystallography Reports, 2001, 46, 937-941 |
| 9012646 | CIF | C5 Ba0.501 Ca1.437 Ce0.438 La0.243 Na2.667 Nd0.099 O15 Sr0.549 | P 63 m c | 10.4974; 10.4974; 6.4309 90; 90; 120 | 613.714 | Belovitskaya, Y. V.; Pekov, I. V.; Gobechiya, E. R.; Kabalov, Y. K.; Subbotin, V. V. Crystal structure of calcioburbankite and the characteristic features of the burbankite structure type Crystallography Reports, 2001, 46, 927-931 |
| 9012645 | CIF | Ca12 Ce0.102 Cl2.68 F0.68 Fe2.19 H11.56 K1.452 Mn0.81 Na34.53 O151.54 Si51.2 Sr0.735 Ti0.52 Zr6 | R 3 :H | 14.239; 14.239; 60.733 90; 90; 120 | 10663.9 | Rastsvetaeva, R. K.; Khomyakov, A. P. Modular structure of a sodium-rich analogue of eudialyte with the doubled c-parameter and the R3 symmetry Crystallography Reports, 2001, 46, 752-757 |
| 9012644 | CIF | Ca0.89 Ce0.11 Nb1.3 O6 Ti0.7 | P c a n | 5.762; 14.988; 5.246 90; 90; 90 | 453.049 | Gurbanova, O. A.; Rastsvetaeva, R. K.; Kashaev, A. A.; Smolin, A. S. Refined crystal structure of TR-fersmite (TR = Ce) Crystallography Reports, 2001, 46, 194-195 |
| 9012643 | CIF | Al0.18 Ca0.01 Fe0.01 H10 Hf0.01 K0.01 Mn0.14 Na2.51 O18.45 Si5.82 Ti0.01 Zr0.96 | C 1 m 1 | 10.589; 10.217; 7.355 90; 92.91; 90 | 794.695 | Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.; Ekimenkova, I. A. Crystal structure of litvinskite: A new natural member of the lovozerite group Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia Crystallography Reports, 2001, 46, 190-193 |
| 9012370 | CIF | As Br Hg3 O4 | P 21 3 | 8.4611; 8.4611; 8.4611 90; 90; 90 | 605.732 | Weil, M. Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster Zeitschrift fur Naturforschung B, 2001, 56, 753-758 |
| 9012369 | CIF | As Cl Hg3 O4 | P 21 3 | 8.3983; 8.3983; 8.3983 90; 90; 90 | 592.344 | Weil, M. Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster Zeitschrift fur Naturforschung B, 2001, 56, 753-758 |
| 9012368 | CIF | Cl Hg3 O4 P | P 21 3 | 8.2912; 8.2912; 8.2912 90; 90; 90 | 569.97 | Weil, M. Preparation and crystal structures of (Hg3)(PO4)Cl, (Hg3)(AsO4)Cl and (Hg3)(AsO4)Br - mercury compounds with the triangular Hg4+3 cluster Zeitschrift fur Naturforschung B, 2001, 56, 753-758 |
| 9012269 | CIF | P Pd Se | P b c n | 13.594; 5.8317; 5.8583 90; 90; 90 | 464.423 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012268 | CIF | Ni0.766 Sb0.5 Te0.5 | P 63/m m c | 3.9158; 3.9158; 5.2011 90; 90; 120 | 69.066 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012267 | CIF | Ni P0.24 Se1.76 | P a -3 | 5.901; 5.901; 5.901 90; 90; 90 | 205.483 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012266 | CIF | Ni P1.86 Se0.14 | P a -3 | 5.479; 5.479; 5.479 90; 90; 90 | 164.477 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012265 | CIF | Pd Sb Te | P 21 3 | 6.5362; 6.5362; 6.5362 90; 90; 90 | 279.239 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012264 | CIF | Pd Sb Se | P 21 3 | 6.324; 6.324; 6.324 90; 90; 90 | 252.916 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012263 | CIF | As Pd Se | P 21 3 | 6.0948; 6.0948; 6.0948 90; 90; 90 | 226.401 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012262 | CIF | As Pd S | P 21 3 | 5.9507; 5.9507; 5.9507 90; 90; 90 | 210.719 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012261 | CIF | Ni Sb Se | P 21 3 | 6.0868; 6.0868; 6.0868 90; 90; 90 | 225.511 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012260 | CIF | As Ni Se | P 21 3 | 5.8469; 5.8469; 5.8469 90; 90; 90 | 199.884 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012259 | CIF | Ni S Sb | P 21 3 | 5.9341; 5.9341; 5.9341 90; 90; 90 | 208.961 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012258 | CIF | As Ni S | P 21 3 | 5.6888; 5.6888; 5.6888 90; 90; 90 | 184.103 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012257 | CIF | Ni P S | P 21 3 | 5.5386; 5.5386; 5.5386 90; 90; 90 | 169.903 | Foecker, A. J.; Jeitschko, W. The atomic order of the pnictogen and chalcogen atoms in equiatomic ternary compounds TPnCh (T = Ni, Pd; Pn = P, As, Sb; Ch = S, Se, Te) Journal of Solid State Chemistry, 2001, 162, 69-78 |
| 9012256 | CIF | Ca Mn2 O4 | P b c m | 3.14685; 9.9528; 9.67166 90; 90; 90 | 302.916 | Ling, C. D.; Neumeier, J. J.; Argyriou, D. N. Observation of antiferromagnetism in marokite CaMn2O4 Sample: T = 20 K Journal of Solid State Chemistry, 2001, 160, 167-173 |
| 9012255 | CIF | Ca Mn2 O4 | P b c m | 3.15886; 9.9958; 9.6776 90; 90; 90 | 305.573 | Ling, C. D.; Neumeier, J. J.; Argyriou, D. N. Observation of antiferromagnetism in marokite CaMn2O4 Sample: T = 300 K Journal of Solid State Chemistry, 2001, 160, 167-173 |
| 9012254 | CIF | F7 In Mg Na2 | P n m a | 10.435; 7.345; 7.553 90; 90; 90 | 578.9 | Caramanian, A.; Souron, J. P.; Gredin, P.; de Kozak, A. The crystal structure of the weberite Na2MgInF7 Journal of Solid State Chemistry, 2001, 159, 234-238 |
| 9012253 | CIF | Al H O2 | C m c m | 2.8678; 12.2188; 3.6941 90; 90; 90 | 129.445 | Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 240 C Journal of Solid State Chemistry, 2001, 159, 32-40 |
| 9012252 | CIF | Al H O2 | C m c m | 2.8681; 12.2256; 3.6941 90; 90; 90 | 129.531 | Bokhimi, X.; Toledo-Antonio J A; Guzman-Castillo M L; Hernandez-Beltran F Relationship between crystallite size and bond lengths in boehmite Sample: preparation T = 180 C Journal of Solid State Chemistry, 2001, 159, 32-40 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!