data_1010987
_chemical_name_systematic          'Dialuminium oxide silicate'
_chemical_name_mineral             'Kyanite'
_chemical_formula_structural       'Al2 O (Si O4)'
_chemical_formula_sum              'Al2 O5 Si'
_publ_section_title                'The Structure of Cyanite'
loop_
_publ_author_name
  'Naray-Szabo, S'
  'Taylor, W H'
  'Jackson, W W'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    71
_journal_year                      1929
_journal_page_first                117
_journal_page_last                 130
_cell_length_a                     7.09(2)
_cell_length_b                     7.72(4)
_cell_length_c                     5.56(2)
_cell_angle_alpha                  90.09
_cell_angle_beta                   101.03
_cell_angle_gamma                  105.74
_cell_volume                       287.0
_cell_formula_units_Z              4
_exptl_crystal_density_meas        3.67
_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 0.38 0.34 0.35 1.  0 d
  O2    O2-    2 i 0.38 -0.16 0.35 1.  0 d
  O3    O2-    2 i 0.22 0.07 -0.45 1.  0 d
  O4    O2-    2 i 0.22 -0.47 -0.45 1.  0 d
  O5    O2-    2 i 0.38 0.34 -0.15 1.  0 d
  O6    O2-    2 i 0.38 -0.16 -0.15 1.  0 d
  O7    O2-    2 i 0.22 0.07 0.05 1.  0 d
  O8    O2-    2 i 0.22 -0.47 0.05 1.  0 d
  O9    O2-    2 i 0. 0.25 0.25 1.  0 d
  O10   O2-    2 i 0. 0.25 -0.25 1.  0 d
  Si1   Si4+   2 i 0.2 0.42 -0.2 1.  0 d
  Si2   Si4+   2 i 0.2 0.18 0.3 1.  0 d
  Al1   Al3+   2 i 0.19 -0.21 0.05 1.  0 d
  Al2   Al3+   2 i 0.19 -0.21 0.45 1.  0 d
  Al3   Al3+   2 i 0.39 0.09 -0.17 1.  0 d
  Al4   Al3+   2 i 0.39 -0.41 0.33 1.  0 d