data_global
_chemical_name_mineral 'Andalusite'
loop_
_publ_author_name
'Winter J K'
'Ghose S'
_journal_name_full 'American Mineralogist'
_journal_volume 64 
_journal_year 1979
_journal_page_first 573
_journal_page_last 586
_publ_section_title
;
 Thermal expansion and high-temperature crystal chemistry of the Al2SiO5 polymorphs
 T = 1000 deg C
;
_database_code_amcsd 0000732
_chemical_formula_sum 'Al2 Si O5'
_cell_length_a 7.8976
_cell_length_b 7.9735
_cell_length_c 5.5695
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 350.720
_exptl_crystal_density_diffrn      3.069
_symmetry_space_group_name_H-M 'P n n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-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'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Al1   0.00000   0.00000   0.24180
Al2   0.37240   0.14040   0.50000
Si   0.24610   0.25510   0.00000
Oa   0.42240   0.36610   0.00000
Ob   0.10330   0.40060   0.00000
Oc   0.42590   0.36290   0.50000
Od   0.23450   0.13790   0.23870
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Al1 0.03381 0.02480 0.01100 0.01148 0.00000 0.00000
Al2 0.01327 0.01900 0.01414 0.00032 0.00000 0.00000
Si 0.01327 0.01578 0.01257 0.00000 0.00000 0.00000
Oa 0.01738 0.02383 0.01461 -0.00606 0.00000 0.00000
Ob 0.01296 0.01707 0.04809 0.00191 0.00000 0.00000
Oc 0.02307 0.01868 0.01540 -0.00447 0.00000 0.00000
Od 0.02275 0.02609 0.01603 -0.00574 -0.00513 0.00450