#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010924.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_1010924
_chemical_name_systematic          'Aluminium silicate oxide'
_chemical_name_mineral             'Andalusite'
_chemical_formula_structural       'Al2 Si O5'
_chemical_formula_sum              'Al2 O5 Si'
_publ_section_title                'The Structure of Andalusite, Al2 Si O5'
loop_
_publ_author_name                  'Taylor, W H'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    71
_journal_year                      1929
_journal_page_first                205
_journal_page_last                 218
_cell_length_a                     7.76(3)
_cell_length_b                     7.90(3)
_cell_length_c                     5.56(2)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       340.9
_cell_formula_units_Z              4
_exptl_crystal_density_meas        3.15(5)
_symmetry_space_group_name_H-M     'P n n m'
_symmetry_Int_Tables_number        58
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2-y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  'x,y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Si4+   4.000
  Al3+   3.000
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
  O1    O2-    4 g 0.08 -0.14 0. 1.  0 d
  O2    O2-    4 g 0.04 -0.17 0.5 1.  0 d
  O3    O2-    4 g 0.14 0.4 0. 1.  0 d
  O4    O2-    8 h 0.21 0.14 0.25 1.  0 d
  Si1   Si4+   4 g 0.28 0.25 0. 1.  0 d
  Al1   Al3+   4 e 0. 0. 0.25 1.  0 d
  Al2   Al3+   4 g -0.14 0.36 0. 1.  0 d
_cod_database_code 1010924