Crystal structure refinement and electron density distribution in diaspore
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Chemical Synthesis and Characterization · X-ray Diffraction in Crystallography · Inorganic Chemistry and Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (62)
Show source-provided references
1. Alexander, L.E., Smith, G.S.: Single-crystal diffractometry: the improvement of accuracy in intensity measurements. Acta Crystallogr. 17, 1195?1201 (1964)10.1107/S0365110X64003115 ↗
2. Bartell, L.S., Su, L.S., Yow, H.: Lengths of phosphorus-oxygen and sulfur-oxygen bonds. An extended Hückel molecular orbital examination of Cruickshank's d?-p? picture. Inorg. Chem. 9, 1903?1912 (1970)10.1021/ic50090a021 ↗
3. Bartenev, G.M., Varisov, A.Z., Goldanskii, V.I., Prokopev, E.P., Tsyganov, A.D.: Determination of the effective charges of anions in media of the ionic type by the positron method. Russ. Chem. Rev. 41, 305?313 (1972)10.1070/RC1972v041n04ABEH002057 ↗
4. Basch, H., Viste, A., Gray, H.B.: Valence orbital ionization potentials from atomic spectral data. Theor. Chim. Acta (Berl.) 3, 458?464 (1965)10.1007/BF00530423 ↗
5. Baur, W.H.: Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 polymorphs of low and high density. Am. Mineral. 57, 709?731 (1972)
6. Becker, P.: Interpretation of experimental charge densities. Phys. Scr. 15, 119?142 (1977)10.1088/0031-8949/15/2/005 ↗
7. Berkovitch-Yellin, Z., Leiserowitz, L., Nader, F.: Electron density distribution in cumulenes: an X-ray study of the complex allenedicarbonylic acid-acetamide (1:1) at ?150° C. Acta Crystallogr. B33, 3670?3677 (1977)10.1107/S0567740877011820 ↗
8. Brown, I.D., Wu, K.K.: Empirical parameters for calculating cation-oxygen bond valencies. Acta Crystallogr. B32, 1957?1959 (1976)10.1107/S0567740876006869 ↗
9. Burnham, C.W.: Refinement of the crystal structure of kyanite. Z. Kristallogr. Mineral. 118, 337?360 (1963)10.1524/zkri.1963.118.5-6.337 ↗
10. Busing, W.R., Levy, H.A.: A single crystal neutron diffraction study of diaspore, AlO(OH). Acta Crystallogr. 11, 798?803 (1958)10.1107/S0365110X58002243 ↗
11. Byström, A.M.: The crystal structure of ramsdellite, an orthorhombic modification of MnO2. Acta Chem. Scand. 3, 163?173 (1949)10.3891/acta.chem.scand.03-0163 ↗
12. Chen, R., Trucano, P., Stewart, R.F.: The valence-charge density of graphite. Acta Crystallogr. A33, 823?828 (1977)10.1107/S0567739477001995 ↗
13. Chiari, G., Ross, F.K., Gibbs, G.V., Peterson, R.C.: Residual electron density in calcite (accepted for publication). Trans. Am. Geophys. Union 60
14. Christensen, A.N., Jensen, S.J.: Hydrothermal preparation of ?-ScOOH and of ?-ScOOH. Crystal structure of ?-ScOOH. Acta Chem. Scand. 21, 121?126 (1967)10.3891/acta.chem.scand.21-0121 ↗
15. Clementi, E., Raimondi, D.L.: Atomic screening constants from SCF functions. J. Chem. Phys. 38, 2686?2689 (1963)10.1063/1.1733573 ↗
16. Cohen, J.P., Ross, F.K., Gibbs, G.V.: An X-ray and neutron diffraction study of hydrous low cordierite. Am. Mineral. 62, 67?78 (1977)
17. Cooper, W.F., Larsen, F.K., Coppens, P., Giese, R.F.: Electron population analysis of accurate diffraction data. V. Structure and one-center charge refinement of the light-atom mineral kernite, Na2B4O6(OH)2. 3H2O. Am Mineral. 58, 21?31 (1973)
18. Coppens, P.: Evidence for systematic errors in X-ray temperature parameters resulting from bonding effects. Acta Crystallogr. B24, 1272?1274 (1968)10.1107/S0567740868004115 ↗
19. Coppens, P.: Direct evaluation of the charge transfer in the tetrathiofulvalene-tetracyanoquinodimethane (TTF-TCNQ) complex at 100° K by numerical integration of X-ray diffraction amplitudes. Phys. Rev. Lett. 35, 98?100 (1975a)10.1103/PhysRevLett.35.98 ↗
20. Coppens, P.: Measurement of electron densities in solids by X-ray diffraction. In: MTP Int. Rev. Sci., Physical Chemistry, Series Two, Vol. II: Chemical Crystallogr., Robertson, J.M. (ed.). London: Butterworths 1975b, pp. 21?56
21. Coppens, P.: Experimental electron densities and chemical bonding. Angew. Chem. Int. Ed. Engl. 16, 32?40 (1977a)10.1002/anie.197700321 ↗
22. Coppens, P.: Overcoming the free-atom bias with modified least-squares formalisms. Is. J. Chem. 16, 159?162 (1977b)10.1002/ijch.197700027 ↗
23. Coppens, P., Coulson, C.A.: The effect of asymmetry of the atomic charge distribution on the positions of terminal atoms as determined with X-rays. Acta Crystallogr. 23, 718?720 (1967)10.1107/S0365110X67003573 ↗
24. Coppens, P., Guru Row, T.N., Leung, P., Stevens, E.D., Becker, P.T., Wang, Y.W.: Net atomic charges and molecular dipole moments from spherical-atom X-ray refinements and the relation between atomic charge and shape. Acta Crystallogr. A35, 63?72 (1979)10.1107/S0567739479000127 ↗
25. Coppens, P., Hamilton, W.C.: Anisotropic extinction corrections in the Zachariasen approximation. Acta Crystallogr. A26, 71?83 (1970)10.1107/S0567739470000086 ↗
26. Coppens, P., Pautler, D., Griffin, J.F.: Electron population analysis of accurate diffraction data. II. Application of one-center formalisms to some organic and inorganic molecules. J. Am. Chem. Soc. 93, 1051?1058 (1971)10.1021/ja00734a001 ↗
27. Delflandre, M.: La structure cristalline du diaspore. Bull. Soc. Fr. Mineral. Cristallogr. 55, 140?165 (1932)
28. Dent Glasser, L.S., Ingram, L.: Refinement of the crystal structure of groutite, ?-MnOOH. Acta Crystallogr. B24, 1233?1236 (1968)10.1107/S0567740868004036 ↗
29. Evans, H.T., Mrose, M.E.: A crystal chemical study of montroseite and paramontroseite. Am. Mineral. 40, 861?875 (1955)
30. Ewing, F.J.: The crystal structure of diaspore. J. Chem. Phys. 3, 203?207 (1935)10.1063/1.1749634 ↗
31. Ferraris, G., Franchini-Angela, M.: Survey of the geometry and environment of water molecules in crystalline hydrates studied by neutron diffraction. Acta Crystallogr. B28, 3572?3583 (1972)10.1107/S0567740872008362 ↗
32. Forsyth, J.B., Hedley, I.G., Johnson, C.E.: The magnetic structure and hyperfine field of goethite (?-FeOOH). Proc. Phys. Soc. London, Sec. C 1, 179?188 (1968)
33. Gibbs, G.V., Hill, R.J., Ross, F.K., Coppens, P.: Net charge distributions and radial dependences of the valence electrons on the Si and O atoms in coesite. Geol. Soc. Am. Abstr. Progr. 10, 721 (1978)
34. Giese, R.F., Weller, S., Datta, P.: Electrostatic energy calculations of diaspore (? AlOOH), goethite (? FeOOH) and groutite (? MnOOH). Z. Kristallogr. Mineral. 134, 275?284 (1971)10.1524/zkri.1971.134.16.275 ↗
35. Hamilton, W.C.: Significance tests on the crystallographic R factor. Acta Crystallogr. 18, 502?510 (1965)10.1107/S0365110X65001081 ↗
36. Higgins, J.B., Ribbe, P.H.: Sapphirine II. A neutron and X-ray diffraction study of (Mg-Al)VI and (Si-Al)IV ordering in monoclinic sapphirine. Contrib. Mineral. Petrol. 68, 357?368 (1979)10.1007/BF01164520 ↗
37. Hill, R.J., Gibbs, G.V., Ross, F.K.: Residual electron density in hemimorphite. Acta Crystallogr. (in press, 1979)
38. Hoffmann, R.: An extended Hückel theory. I. Hydrocarbons. J. Chem. Phys. 39, 1397?1412 (1963)10.1063/1.1734456 ↗
39. Hoppe, W.: Über die Kristallstruktur von ?-AlOOH (Diaspor) und ?-FeOOH (Nadeleisenerz). Z. Kristallogr. Mineral. 103, 73?89 (1941)10.1524/zkri.1941.103.1.73 ↗
40. Hoppe, W.: Über die Kristallstruktur von ?-AlOOH (Diaspor) II. (Fourieranalyse). Z. Kristallogr. Mineral. 104, 11?17 (1942)10.1524/zkri.1942.104.1.11 ↗
41. Hornstra, J., Stubbe, B.: PW 1100 Data Processing Program. Eidhoven: Holland Philips Res. Lab. 1972
42. International Tables for X-ray Crystallography. Vol. IV. Ibers, J.A., Hamilton, W.C. (eds.). Birmingham, England: Kynoch 1974
43. Iwata, M.: X-ray determination of the electron distribution in crystals of [Co(NH3)6][Cr(CN)6] at 80K. Acta Crystallogr. B33, 59?69 (1977)10.1107/S0567740877002593 ↗
44. Johnson, C.K.: ORTEP-II: A FORTRAN thermal-ellipsoid plot program for crystal structure illustrations. Oak Ridge, Tennessee: U.S. Natl. Tech. Inf. Serv. Pub. ORNL-5138 197610.2172/7364501 ↗
45. Kurki Suonio, K.: Analysis of crystal atoms on the basis of X-ray diffraction. Bari, Italy: Ital. Crystallogr. Assoc. Meeting 1971
46. Marumo, F., Isobe, M., Akimoto, S.: Electron-density distributions in crystals of ?-Fe2SiO4 and ?-Co2SiO4. Acta Crystallogr. B33, 713?716 (1977)10.1107/S0567740877004531 ↗
47. Mulliken, R.S.: Electronic population analysis on LCAO-MO molecular wave functions. J. Chem. Phys. 23, 1833?1846 (1955)10.1063/1.1740588 ↗
48. Pauling, L.: The modern theory of valence. J. Chem. Soc. (Lond.), 1461?1467 (1948)10.1039/jr9480001461 ↗
49. Pauling, L.: The Nature of the Chemical Bond. 3rd edn. New York: Cornell University Press 1960
50. Sasaki, S., Fujino, K., Takéuchi, Y., Sadanaga, R.: X-ray determination of the electron distributions in olivines and pyroxenes. Abstract S21, XIth IUCr Congress, Warsaw 1978
51. Sheldrick, G.M.: SHELX 76: Program for crystal structure determination. Cambridge University 1976
52. Shintani, H., Sato, S., Saito, Y.: Electron-density distribution in rutile crystals. Acta Crystallogr. B31, 1981?1982 (1975)10.1107/S0567740875006644 ↗
53. Slater, J.C.: Quantum theory of molecules and solids. Vol. 2. New York: McGraw-Hill 1965
54. Steele, I.M., Pluth, J.J., Ito, J.: Crystal structure of synthetic LiScSiO4 olivine and comparison with isotypic Mg2SiO4. Z. Kristallogr. Mineral. 147, 119?127 (1978)10.1524/zkri.1978.147.1-2.119 ↗
55. Stevens, E.D., Coppens, P.: A priori estimates of the errors in experimental electron densities. Acta Crystallogr. A32, 915?917 (1976)10.1107/S0567739476001836 ↗
56. Stewart, R.F.: Valence structure from X-ray diffraction data: an L-shell projection method. J. Chem. Phys. 53, 205?213 (1970)10.1063/1.1673767 ↗
57. Stewart, R.F., Davidson, E.R., Simpson, W.T.: Coherent X-ray scattering for the hydrogen atom in the hydrogen molecule. J. Chem. Phys. 42, 3175?3187 (1965)10.1063/1.1696397 ↗
58. Takané, K.: Crystal structure of diaspore. Proc. Imp. Acad. Tokyo 9, 113?116 (1933)10.2183/pjab1912.9.113 ↗
59. Thomas, J.O.: Hydrogen bond studies. CXXII. A neutron diffraction and X-N deformation-electron-density study of dimethylammonium hydrogen oxalate, (CH3)2NH2HC2O4, at 298K. Acta Crystallogr. B33, 2867?2876 (1977)10.1107/S0567740877009650 ↗
60. Toriumi, K., Ozima, M., Akaogi, M., Saito, Y.: Electron-density distribution in crystals of CoAl2O4. Acta Crystallogr. B34, 1093?1096 (1978)10.1107/S0567740878004999 ↗
61. Urusov, V.S.: Heats of sublimation and estimates of effective atomic charges in essentially ionic crystals. Zh. Strukt. Khim. 7, 439?444 (1966)
62. Urusov, V.S.: Chemical bonding in silica and silicates. Geokhimiya. 4, 399?412 (1967)