#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/12/1011246.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_1011246
_chemical_name_systematic          'Aluminium silicate hydroxide *'
_chemical_name_mineral             'Halloysite'
_chemical_compound_source
;
from Toller Graben, Elbingerode, Harz, Germany
;
_chemical_formula_structural       '(O H)8 Al2 Si2 O3'
_chemical_formula_sum            'Al2 H8 O11 Si2'
_[local]_cod_chemical_formula_sum_orig 'H8 Al2 O11 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                     5.2
_cell_length_b                     8.92
_cell_length_c                     10.25
_cell_angle_alpha                  90
_cell_angle_beta                   100
_cell_angle_gamma                  90
_cell_volume                       468.2
_cell_formula_units_Z              2
_exptl_crystal_density_meas        2.14
_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 -0.444 1.  0 d
  O1    O2-    4 b -0.046 -0.167 0.118 1.  1 d
  O2    O2-    2 a -0.046 0. 0.118 1.  1 d
  O3    O2-    4 b -0.046 0.333 0.397 1.  1 d
  O4    O2-    4 b -0.046 -0.167 -0.118 1.  1 d
  O5    O2-    2 a -0.046 0. -0.118 1.  1 d
  O6    O2-    2 a 0.283 0. -0.375 1.  0 d
  O7    O2-    4 b 0.033 0.25 -0.375 1.  0 d
  H1    H1+    2 a -1. -1. -1. 8.  0 dum
_cod_database_code 1011246