#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011049.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_1011049
_chemical_name_systematic          'Potassium aluminium silicate hydroxide *'
_chemical_name_mineral             'Muscovite 2M1'
_chemical_compound_source          'from Hundholmen, Nordland, Norway'
_chemical_formula_structural       'K Al2 (Si3 Al) O10 (O H)2'
_chemical_formula_sum              'H2 Al3 K O12 Si3'
_publ_section_title
;
The Crystal Structure of Muscovite - K Al3 Si3 O10 (O H)2
;
loop_
_publ_author_name
  'Jackson, W W'
  'West, J'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    76
_journal_year                      1931
_journal_page_first                211
_journal_page_last                 227
_cell_length_a                     5.18
_cell_length_b                     9.02
_cell_length_c                     20.03999
_cell_angle_alpha                  90
_cell_angle_beta                   95.5
_cell_angle_gamma                  90
_cell_volume                       932.0
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.8
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+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
  Si4+   4.000
  Al3+   3.000
  K1+    1.000
  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
  Si1   Si4+   8 f 0.033 0.417 0.135 0.75  0 d
  Si2   Si4+   8 f 0.033 0.25 0.135 0.75  0 d
  Al1   Al3+   8 f 0.033 0.417 0.135 0.25  0 d
  Al2   Al3+   8 f 0.033 0.25 0.135 0.25  0 d
  Al3   Al3+   8 f 0.25 0.083 0. 1.  0 d
  K1    K1+    4 e 0. 0.083 0.25 1.  0 d
  O1    O2-    8 f 0.063 0.083 0.056 1.  1 d
  O2    O2-    8 f 0.063 0.417 0.056 1.  0 d
  O3    O2-    8 f 0.063 0.25 0.056 1.  0 d
  O4    O2-    8 f 0.478 0.083 0.164 1.  0 d
  O5    O2-    8 f 0.228 0.167 0.164 1.  0 d
  O6    O2-    8 f 0.228 0.333 0.164 1.  0 d
  H1    H1+    8 ? -1. -1. -1. 1.  0 dum