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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010329.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_1010329
_chemical_name_systematic          'Dialuminium silicate oxide'
_chemical_formula_structural       'Al2 Si O5'
_chemical_formula_sum              'Al2 O5 Si'
_publ_section_title                'The Structure of Cyanite, Al~2~ Si O~5~'
loop_
_publ_author_name
  'Taylor, W H'
  'Jackson, W W'
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_coden_ASTM                PRLAAZ
_journal_volume                    119
_journal_year                      1928
_journal_page_first                132
_journal_page_last                 146
_cell_length_a                     7.09(2)
_cell_length_b                     7.72(4)
_cell_length_c                     5.56(2)
_cell_angle_alpha                  90.092
_cell_angle_beta                   101.033
_cell_angle_gamma                  105.742
_cell_volume                       287.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-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-    2 i 0.4 0.35 -0.4 1.  0 d
  O2    O2-    2 i 0.4 -0.15 -0.4 1.  0 d
  O3    O2-    2 i 0.2 0.05 -0.2 1.  0 d
  O4    O2-    2 i 0.2 -0.45 -0.2 1.  0 d
  O5    O2-    2 i 0.4 0.35 0.1 1.  0 d
  O6    O2-    2 i 0.4 -0.15 0.1 1.  0 d
  O7    O2-    2 i 0.2 0.05 0.3 1.  0 d
  O8    O2-    2 i 0.2 -0.45 0.3 1.  0 d
  O9    O2-    2 i 0. 0.25 0.5 1.  0 d
  O10   O2-    2 i 0. 0.25 0. 1.  0 d
  Si1   Si4+   2 i 0.2 0.42 -0.48 1.  0 d
  Si2   Si4+   2 i 0.2 0.18 0.02 1.  0 d
  Al1   Al3+   2 i 0.23 -0.21 0.3 1.  0 d
  Al2   Al3+   2 i 0.17 -0.21 -0.2 1.  0 d
  Al3   Al3+   2 i 0.38 0.11 0.07 1.  0 d
  Al4   Al3+   2 i 0.38 -0.42 -0.43 1.  0 d