#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (mar 27 de ene de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/09/1010924.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
loop_
_publ_author_name
'Taylor, W H'
_publ_section_title              'The Structure of Andalusite, Al2 Si O5'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              205
_journal_page_last               218
_journal_volume                  71
_journal_year                    1929
_chemical_formula_structural     'Al2 Si O5'
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Andalusite
_chemical_name_systematic        'Aluminium silicate oxide'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.76(3)
_cell_length_b                   7.90(3)
_cell_length_c                   5.56(2)
_cell_volume                     340.9
_exptl_crystal_density_meas      3.15(5)
_cod_database_code               1010924
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2- -2.000
Si4+ 4.000
Al3+ 3.000
