#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/10/1011015.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_1011015
_chemical_name_systematic
;
Dialuminium pentamagnesium trisilicate octahydroxide
;
_chemical_name_mineral             'Clinochlore 2M'
_chemical_compound_source          'from Philipsburg, Montana, USA'
_chemical_formula_structural       'Al2 Mg5 Si3 O10 (O H)8'
_chemical_formula_sum            'Al2 H8 Mg5 O18 Si3'
_[local]_cod_chemical_formula_sum_orig 'H8 Al2 Mg5 O18 Si3'
_publ_section_title
;
The Crystal Structure of the Chlorite Minerals.
;
loop_
_publ_author_name                  'McMurchy, G C'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    88
_journal_year                      1934
_journal_page_first                420
_journal_page_last                 432
_cell_length_a                     5.305
_cell_length_b                     9.189
_cell_length_c                     28.5
_cell_angle_alpha                  90
_cell_angle_beta                   97.147
_cell_angle_gamma                  90
_cell_volume                       1378.5
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.68
_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
  Mg2+   2.000
  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
  Mg1   Mg2+   4 a 0. 0. 0. 1.  0 d
  Mg2   Mg2+   8 f 0. 0.3333 0. 1.  0 d
  Mg3   Mg2+   4 e 0. 0.1667 0.25 0.6777  0 d
  Al1   Al3+   4 e 0. 0.1667 0.25 0.3333  0 d
  Mg4   Mg2+   4 e 0. -0.1667 0.25 0.6777  0 d
  Al2   Al3+   4 e 0. -0.1667 0.25 0.3333  0 d
  Mg5   Mg2+   4 e 0. 0.5 0.25 0.6667  0 d
  Al3   Al3+   4 e 0. 0.5 0.25 0.3333  0 d
  Si1   Si4+   8 f -0.269 0. 0.094 0.75  0 d
  Al4   Al3+   8 f -0.269 0. 0.094 0.25  0 d
  Si2   Si4+   8 f -0.269 -0.3333 0.094 0.75  0 d
  Al5   Al3+   8 f -0.269 -0.3333 0.094 0.25  0 d
  O1    O2-    8 f -0.308 0.3333 0.039 1.  1 d
  O2    O2-    8 f -0.308 -0.3333 0.039 1.  0 d
  O3    O2-    8 f -0.308 0. 0.039 1.  0 d
  O4    O2-    8 f -0.006 0.083 0.114 1.  0 d
  O5    O2-    8 f -0.006 -0.417 0.114 1.  0 d
  O6    O2-    8 f -0.256 -0.1667 0.114 1.  0 d
  O7    O2-    8 f 0.142 0. 0.211 1.  1 d
  O8    O2-    8 f 0.142 0.3333 0.211 1.  1 d
  O9    O2-    8 f 0.142 -0.3333 0.211 1.  1 d
  H1    H1+    8 f -1. -1. -1. 4.  0 dum
_cod_database_code 1011015