#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011062.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_1011062
_chemical_name_systematic
;
Dialuminium phyllo-disilicate tetrahydroxide
;
_chemical_name_mineral             'Nacrite 6M'
_chemical_compound_source
;
from St. Peters Dome, Pike's peak, Colorado, USA
;
_chemical_formula_structural       'Al2 (Si2 O5) (O H)4'
_chemical_formula_sum              'H4 Al2 O9 Si2'
_publ_section_title
;
The Crystal Structure of Nacrite Al2 O3 * 2Si O2 * 2H2 O and the
Polymorphism of the Kaolin Minerals.
;
loop_
_publ_author_name                  'Hendricks, S B'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    100
_journal_year                      1939
_journal_page_first                509
_journal_page_last                 518
_cell_length_a                     8.94(2)
_cell_length_b                     5.14(2)
_cell_length_c                     43.0(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90.33(17)
_cell_angle_gamma                  90
_cell_volume                       1975.9
_cell_formula_units_Z              12
_symmetry_space_group_name_H-M     'C 1 c 1'
_symmetry_Int_Tables_number        9
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,1/2+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 a 0.8333 0.1667 0.064 1.  0 d
  Al2   Al3+   4 a 0.1667 0.1667 0.064 1.  0 d
  Al3   Al3+   4 a 0.5 0.1667 0.7307 1.  0 d
  Al4   Al3+   4 a 0.8333 0.1667 0.7307 1.  0 d
  Al5   Al3+   4 a 0.1667 0.1667 0.3973 1.  0 d
  Al6   Al3+   4 a 0.5 0.1667 0.3973 1.  0 d
  Si1   Si4+   4 a 0. 0. 0.6667 1.  0 d
  Si2   Si4+   4 a 0.6667 0. 0.3333 1.  0 d
  Si3   Si4+   4 a 0.3333 0. 0. 1.  0 d
  Si4   Si4+   4 a 0. 0. 0.3333 1.  0 d
  Si5   Si4+   4 a 0.6667 0. 0. 1.  0 d
  Si6   Si4+   4 a 0.3333 0. 0.6667 1.  0 d
  O1    O2-    4 a 0. 0. 0.703 1.  0 d
  O2    O2-    4 a 0.6667 0. 0.37 1.  0 d
  O3    O2-    4 a 0.3333 0. 0.036 1.  0 d
  O4    O2-    4 a 0. 0. 0.37 1.  0 d
  O5    O2-    4 a 0.6667 0. 0.037 1.  0 d
  O6    O2-    4 a 0.3333 0. 0.703 1.  0 d
  O7    O2-    4 a 0. 0. 0.037 1.  1 d
  O8    O2-    4 a 0.6667 0. 0.704 1.  1 d
  O9    O2-    4 a 0.3333 0. 0.37 1.  1 d
  O10   O2-    4 a 0.25 0.25 -0.012 1.  0 d
  O11   O2-    4 a 0.917 0.25 0.655 1.  0 d
  O12   O2-    4 a 0.583 0.25 0.321 1.  0 d
  O13   O2-    4 a 0. 0.5 -0.012 1.  0 d
  O14   O2-    4 a 0.6667 0.5 0.655 1.  0 d
  O15   O2-    4 a 0.3333 0.5 0.321 1.  0 d
  O16   O2-    4 a 0.75 0.25 -0.012 1.  0 d
  O17   O2-    4 a 0.417 0.25 0.655 1.  0 d
  O18   O2-    4 a 0.083 0.25 0.321 1.  0 d
  O19   O2-    4 a 0.6665 0.3335 0.086 1.  1 d
  O20   O2-    4 a 0.3332 0.3335 0.7527 1.  1 d
  O21   O2-    4 a -0.0002 0.3335 0.4193 1.  1 d
  O22   O2-    4 a 0. 0.333 0.086 1.  1 d
  O23   O2-    4 a 0.6667 0.333 0.4193 1.  1 d
  O24   O2-    4 a 0.3333 0.333 0.7527 1.  1 d
  O25   O2-    4 a 0.3335 0.3335 0.086 1.  1 d
  O26   O2-    4 a 0.6668 0.3335 0.4193 1.  1 d
  O27   O2-    4 a 0.0002 0.3335 0.7527 1.  1 d
  H1    H1+    4 a -1. -1. -1. 12.  0 dum