#------------------------------------------------------------------------------ #$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $ #$Revision: 720 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1011247.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1011247 _chemical_name_systematic 'Aluminium silicate hydroxide *' _chemical_name_mineral 'Metahalloysite' _chemical_compound_source 'by heating halloysite to 378 K' _chemical_formula_structural '(O H)4 Si2 Al2 O5' _chemical_formula_sum 'H4 Al2 O9 Si2' _publ_section_title ; Ueber die Struktur von Halloysit und Metahalloysit. ; loop_ _publ_author_name 'Mehmel, M' _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_coden_ASTM ZEKGAX _journal_volume 90 _journal_year 1935 _journal_page_first 35 _journal_page_last 43 _cell_length_a 5.15 _cell_length_b 8.9 _cell_length_c 7.57 _cell_angle_alpha 90 _cell_angle_beta 100 _cell_angle_gamma 90 _cell_volume 341.7 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'C 1 m 1' _symmetry_Int_Tables_number 8 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,-y,z' '1/2+x,1/2+y,z' '1/2+x,1/2-y,z' loop_ _atom_type_symbol _atom_type_oxidation_number Al3+ 3.000 Si4+ 4.000 O2- -2.000 H1+ 1.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Al1 Al3+ 4 b 0.25 0.167 0. 1. 0 d Si1 Si4+ 4 b 0.008 0.167 0.433 1. 0 d O1 O2- 2 a -0.046 0. 0.159 1. 1 d O2 O2- 4 b -0.046 -0.167 -0.159 1. 1 d O3 O2- 2 a -0.046 0. -0.159 1. 1 d O4 O2- 2 a 0.283 0. -0.458 1. 0 d O5 O2- 4 b 0.033 0.25 -0.458 1. 0 d O6 O2- 4 b -0.046 -0.167 0.159 1. 0 d H1 H1+ 2 a -1. -1. -1. 4. 0 dum