#------------------------------------------------------------------------------
#$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/09/1010987.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_1010987
loop_
_publ_author_name
'Naray-Szabo, S'
'Taylor, W H'
'Jackson, W W'
_publ_section_title              'The Structure of Cyanite'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              117
_journal_page_last               130
_journal_volume                  71
_journal_year                    1929
_chemical_formula_structural     'Al2 O (Si O4)'
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_chemical_name_systematic        'Dialuminium oxide silicate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.09
_cell_angle_beta                 101.03
_cell_angle_gamma                105.74
_cell_formula_units_Z            4
_cell_length_a                   7.09(2)
_cell_length_b                   7.72(4)
_cell_length_c                   5.56(2)
_cell_volume                     287.0
_exptl_crystal_density_meas      3.67
_cod_database_code               1010987
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2- -2.000
Si4+ 4.000
Al3+ 3.000